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

85
Patents

211.12085 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.128126 148.4
[M+Na]+ 234.110068 152.6
[M-H]- 210.113574 151.4
[M+NH4]+ 229.154673 166.3
[M+K]+ 250.084008 150.6
[M+H-H2O]+ 194.118110 141.7
[M+HCOO]- 256.119051 164.5
[M+CH3COO]- 270.134701 182.5
[M+Na-2H]- 232.095516 147.5
[M]+ 211.12030142 141.7
[M]- 211.12139858 141.7
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