CID 11197

Lignoceric acid

Structural Information

Molecular Formula
C24H48O2
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)
InChIKey
QZZGJDVWLFXDLK-UHFFFAOYSA-N
Compound name
tetracosanoic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

271
References

36084
Patents

368.36542 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.37270 205.8
[M+Na]+ 391.35464 205.1
[M-H]- 367.35814 201.2
[M+NH4]+ 386.39924 217.5
[M+K]+ 407.32858 200.0
[M+H-H2O]+ 351.36268 198.0
[M+HCOO]- 413.36362 221.7
[M+CH3COO]- 427.37927 222.2
[M+Na-2H]- 389.34009 201.5
[M]+ 368.36487 213.5
[M]- 368.36597 213.5
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

patents stripe