CID 4714359

1-cyclopropyl-5-oxopyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C8H11NO3
SMILES
C1CC1N2CC(CC2=O)C(=O)O
InChI
InChI=1S/C8H11NO3/c10-7-3-5(8(11)12)4-9(7)6-1-2-6/h5-6H,1-4H2,(H,11,12)
InChIKey
AJVZAQNEJHXULB-UHFFFAOYSA-N
Compound name
1-cyclopropyl-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

18
Patents

169.0739 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.081176 136.3
[M+Na]+ 192.063118 145.5
[M-H]- 168.066624 141.3
[M+NH4]+ 187.107723 151.6
[M+K]+ 208.037058 142.4
[M+H-H2O]+ 152.071160 130.3
[M+HCOO]- 214.072101 156.3
[M+CH3COO]- 228.087751 178.7
[M+Na-2H]- 190.048566 138.1
[M]+ 169.07335142 136.6
[M]- 169.07444858 136.6
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