CID 138454206

Lmfa01160065

Structural Information

Molecular Formula
C74H148O4
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C(C)CCCCCCCCCCCCCCC)OC)O)C(=O)O
InChI
InChI=1S/C74H148O4/c1-5-7-9-11-13-15-17-19-20-21-22-23-30-33-36-39-43-47-51-55-59-63-67-71(74(76)77)72(75)68-64-60-56-52-48-44-40-37-34-31-28-26-24-25-27-29-32-35-38-41-45-49-53-57-61-65-69-73(78-4)70(3)66-62-58-54-50-46-42-18-16-14-12-10-8-6-2/h70-73,75H,5-69H2,1-4H3,(H,76,77)
InChIKey
FLXBKMSOYVHOLU-UHFFFAOYSA-N
Compound name
3-hydroxy-32-methoxy-33-methyl-2-tetracosyloctatetracontanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1101.1378 Da
Monoisotopic Mass

35.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1102.1451 365.4
[M+Na]+ 1124.1270 364.0
[M-H]- 1100.1305 338.7
[M+NH4]+ 1119.1716 367.5
[M+K]+ 1140.1010 382.6
[M+H-H2O]+ 1084.1351 362.2
[M+HCOO]- 1146.1360 346.7
[M+CH3COO]- 1160.1517 353.7
[M+Na-2H]- 1122.1125 336.2
[M]+ 1101.1373 367.5
[M]- 1101.1383 367.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.