CID 165222992

Capecchic acid

Structural Information

Molecular Formula
C21H40O2
SMILES
CCCCCCCCC/C=C\CCCCCCCCCC(=O)O
InChI
InChI=1S/C21H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h10-11H,2-9,12-20H2,1H3,(H,22,23)/b11-10-
InChIKey
HMQNHJJIYIZSOU-KHPPLWFESA-N
Compound name
(Z)-henicos-11-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.30283 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.310106 191.2
[M+Na]+ 347.292048 192.1
[M-H]- 323.295554 187.3
[M+NH4]+ 342.336653 204.8
[M+K]+ 363.265988 187.2
[M+H-H2O]+ 307.300090 184.2
[M+HCOO]- 369.301031 208.4
[M+CH3COO]- 383.316681 211.9
[M+Na-2H]- 345.277496 188.5
[M]+ 324.30228142 197.0
[M]- 324.30337858 197.0
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.