CID 6123064

Cucurbic acid

Structural Information

Molecular Formula
C12H20O3
SMILES
CC/C=C/CC1C(CCC1O)CC(=O)O
InChI
InChI=1S/C12H20O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-11,13H,2,5-8H2,1H3,(H,14,15)/b4-3+
InChIKey
LYSGIJUGUGJIPS-ONEGZZNKSA-N
Compound name
2-[3-hydroxy-2-[(E)-pent-2-enyl]cyclopentyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

285
Patents

212.14125 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.148526 151.7
[M+Na]+ 235.130468 156.9
[M-H]- 211.133974 151.8
[M+NH4]+ 230.175073 171.0
[M+K]+ 251.104408 153.8
[M+H-H2O]+ 195.138510 146.8
[M+HCOO]- 257.139451 170.0
[M+CH3COO]- 271.155101 182.8
[M+Na-2H]- 233.115916 150.5
[M]+ 212.14070142 149.6
[M]- 212.14179858 149.6
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.