CID 19988354

Schembl538816

Structural Information

Molecular Formula
C24H48O2
SMILES
CCCCCCCCCCCCCCCCC(CC)(CCCC)C(=O)O
InChI
InChI=1S/C24H48O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24(6-3,23(25)26)21-8-5-2/h4-22H2,1-3H3,(H,25,26)
InChIKey
XCPXJFFSGMERLK-UHFFFAOYSA-N
Compound name
2-butyl-2-ethyloctadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

682
Patents

368.36542 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.37270 205.9
[M+Na]+ 391.35464 205.8
[M-H]- 367.35814 201.8
[M+NH4]+ 386.39924 217.9
[M+K]+ 407.32858 201.2
[M+H-H2O]+ 351.36268 199.0
[M+HCOO]- 413.36362 220.4
[M+CH3COO]- 427.37927 222.6
[M+Na-2H]- 389.34009 202.5
[M]+ 368.36487 213.3
[M]- 368.36597 213.3
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

patents stripe