CID 277754

Ethyl 3-oxopyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C7H11NO3
SMILES
CCOC(=O)N1CCC(=O)C1
InChI
InChI=1S/C7H11NO3/c1-2-11-7(10)8-4-3-6(9)5-8/h2-5H2,1H3
InChIKey
DQYGBMLEVQLDQC-UHFFFAOYSA-N
Compound name
ethyl 3-oxopyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

159
Patents

157.0739 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.08118 132.0
[M+Na]+ 180.06312 139.4
[M-H]- 156.06662 134.2
[M+NH4]+ 175.10772 153.4
[M+K]+ 196.03706 139.4
[M+H-H2O]+ 140.07116 126.2
[M+HCOO]- 202.07210 153.9
[M+CH3COO]- 216.08775 173.7
[M+Na-2H]- 178.04857 135.1
[M]+ 157.07335 132.1
[M]- 157.07445 132.1
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