CID 53212241

1-cyclopropyl-5-oxopyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C8H11NO3
SMILES
C1CC1N2C(CCC2=O)C(=O)O
InChI
InChI=1S/C8H11NO3/c10-7-4-3-6(8(11)12)9(7)5-1-2-5/h5-6H,1-4H2,(H,11,12)
InChIKey
KBBDOLFEYYQZMD-UHFFFAOYSA-N
Compound name
1-cyclopropyl-5-oxopyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

169.0739 Da
Monoisotopic Mass

0.0
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

No literature data available for this compound.

Patent stripe

patents stripe