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

4
Patents

157.0739 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.08118 132.4
[M+Na]+ 180.06312 139.6
[M-H]- 156.06662 131.9
[M+NH4]+ 175.10772 154.2
[M+K]+ 196.03706 138.0
[M+H-H2O]+ 140.07116 128.0
[M+HCOO]- 202.07210 151.1
[M+CH3COO]- 216.08775 169.4
[M+Na-2H]- 178.04857 135.8
[M]+ 157.07335 129.1
[M]- 157.07445 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