CID 83670610

Methyl 3-methyl-2-oxopyrrolidine-3-carboxylate

Structural Information

Molecular Formula
C7H11NO3
SMILES
CC1(CCNC1=O)C(=O)OC
InChI
InChI=1S/C7H11NO3/c1-7(6(10)11-2)3-4-8-5(7)9/h3-4H2,1-2H3,(H,8,9)
InChIKey
LGABVVFSYBSLDO-UHFFFAOYSA-N
Compound name
methyl 3-methyl-2-oxopyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

157.0739 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.081176 131.5
[M+Na]+ 180.063118 139.3
[M-H]- 156.066624 132.5
[M+NH4]+ 175.107723 154.1
[M+K]+ 196.037058 138.5
[M+H-H2O]+ 140.071160 126.9
[M+HCOO]- 202.072101 151.8
[M+CH3COO]- 216.087751 171.3
[M+Na-2H]- 178.048566 135.4
[M]+ 157.07335142 130.0
[M]- 157.07444858 130.0
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