CID 5312570

19z-pentacosenoic acid

Structural Information

Molecular Formula
C25H48O2
SMILES
CCCCC/C=C\CCCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C25H48O2/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/h6-7H,2-5,8-24H2,1H3,(H,26,27)/b7-6-
InChIKey
BMOOMHHTNKOYPX-SREVYHEPSA-N
Compound name
(Z)-pentacos-19-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.36542 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.37270 208.6
[M+Na]+ 403.35464 207.9
[M-H]- 379.35814 203.9
[M+NH4]+ 398.39924 219.9
[M+K]+ 419.32858 202.0
[M+H-H2O]+ 363.36268 200.8
[M+HCOO]- 425.36362 224.5
[M+CH3COO]- 439.37927 223.7
[M+Na-2H]- 401.34009 203.9
[M]+ 380.36487 215.9
[M]- 380.36597 215.9
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.