CID 10468

Pentacosanoic acid

Structural Information

Molecular Formula
C25H50O2
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C25H50O2/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)27/h2-24H2,1H3,(H,26,27)
InChIKey
MWMPEAHGUXCSMY-UHFFFAOYSA-N
Compound name
pentacosanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

3448
Patents

382.38107 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.388346 210.1
[M+Na]+ 405.370288 209.0
[M-H]- 381.373794 205.3
[M+NH4]+ 400.414893 221.3
[M+K]+ 421.344228 203.7
[M+H-H2O]+ 365.378330 202.2
[M+HCOO]- 427.379271 225.7
[M+CH3COO]- 441.394921 225.2
[M+Na-2H]- 403.355736 205.3
[M]+ 382.38052142 218.2
[M]- 382.38161858 218.2
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