CID 22318449

Ethyl 4-oxopyrrolidine-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C7H11NO3
SMILES
CCOC(=O)C1CNCC1=O
InChI
InChI=1S/C7H11NO3/c1-2-11-7(10)5-3-8-4-6(5)9/h5,8H,2-4H2,1H3
InChIKey
QXAZQNAFKUKXOL-UHFFFAOYSA-N
Compound name
ethyl 4-oxopyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

157.0739 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.08118 132.8
[M+Na]+ 180.06312 139.6
[M-H]- 156.06662 133.4
[M+NH4]+ 175.10772 153.3
[M+K]+ 196.03706 138.7
[M+H-H2O]+ 140.07116 127.1
[M+HCOO]- 202.07210 153.0
[M+CH3COO]- 216.08775 171.7
[M+Na-2H]- 178.04857 135.3
[M]+ 157.07335 130.9
[M]- 157.07445 130.9
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