CID 15389272

15-methoxy-tricosanoic acid

Structural Information

Molecular Formula
C24H48O3
SMILES
CCCCCCCCC(CCCCCCCCCCCCCC(=O)O)OC
InChI
InChI=1S/C24H48O3/c1-3-4-5-6-14-17-20-23(27-2)21-18-15-12-10-8-7-9-11-13-16-19-22-24(25)26/h23H,3-22H2,1-2H3,(H,25,26)
InChIKey
XAHQMQMCLFTERG-UHFFFAOYSA-N
Compound name
15-methoxytricosanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.36035 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.36763 209.5
[M+Na]+ 407.34957 208.6
[M-H]- 383.35307 205.0
[M+NH4]+ 402.39417 210.3
[M+K]+ 423.32351 204.5
[M+H-H2O]+ 367.35761 201.7
[M+HCOO]- 429.35855 219.2
[M+CH3COO]- 443.37420 224.8
[M+Na-2H]- 405.33502 204.0
[M]+ 384.35980 218.0
[M]- 384.36090 218.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.