CID 171119992

Cyclopentenone acid c

Structural Information

Molecular Formula
C19H32O3
SMILES
C1CC(=O)C=C1CCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C19H32O3/c20-18-15-14-17(16-18)12-10-8-6-4-2-1-3-5-7-9-11-13-19(21)22/h16H,1-15H2,(H,21,22)
InChIKey
ZHUVNXQAENOFTH-UHFFFAOYSA-N
Compound name
14-(3-oxocyclopenten-1-yl)tetradecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.23514 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.24242 181.7
[M+Na]+ 331.22436 184.3
[M-H]- 307.22786 181.9
[M+NH4]+ 326.26896 197.4
[M+K]+ 347.19830 180.1
[M+H-H2O]+ 291.23240 174.8
[M+HCOO]- 353.23334 200.6
[M+CH3COO]- 367.24899 205.4
[M+Na-2H]- 329.20981 178.9
[M]+ 308.23459 185.2
[M]- 308.23569 185.2
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.