CID 238546

1-cyclohexyl-5-oxopyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C11H17NO3
SMILES
C1CCC(CC1)N2CC(CC2=O)C(=O)O
InChI
InChI=1S/C11H17NO3/c13-10-6-8(11(14)15)7-12(10)9-4-2-1-3-5-9/h8-9H,1-7H2,(H,14,15)
InChIKey
JXNDLFWQCQNSRP-UHFFFAOYSA-N
Compound name
1-cyclohexyl-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

80
Patents

211.12085 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.12813 149.3
[M+Na]+ 234.11007 157.4
[M+NH4]+ 229.15467 156.3
[M+K]+ 250.08401 154.9
[M-H]- 210.11357 150.1
[M+Na-2H]- 232.09552 151.8
[M]+ 211.12030 150.2
[M]- 211.12140 150.2
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