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
2
Annotation Hits

0
References

181
Patents

212.14125 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.14853 151.7
[M+Na]+ 235.13047 159.1
[M+NH4]+ 230.17507 157.8
[M+K]+ 251.10441 156.1
[M-H]- 211.13397 150.4
[M+Na-2H]- 233.11592 152.2
[M]+ 212.14070 151.8
[M]- 212.14180 151.8
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