CID 82651986

3-ethyl-2-oxopyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C7H11NO3
SMILES
CCC1(CCNC1=O)C(=O)O
InChI
InChI=1S/C7H11NO3/c1-2-7(6(10)11)3-4-8-5(7)9/h2-4H2,1H3,(H,8,9)(H,10,11)
InChIKey
BZOZZHITPNLXLM-UHFFFAOYSA-N
Compound name
3-ethyl-2-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

157.0739 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.081176 132.4
[M+Na]+ 180.063118 139.6
[M-H]- 156.066624 131.9
[M+NH4]+ 175.107723 154.2
[M+K]+ 196.037058 138.0
[M+H-H2O]+ 140.071160 128.0
[M+HCOO]- 202.072101 151.1
[M+CH3COO]- 216.087751 169.4
[M+Na-2H]- 178.048566 135.8
[M]+ 157.07335142 129.1
[M]- 157.07444858 129.1
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