CID 12361160

L-proline, 1-methyl-5-oxo-, methyl ester

Structural Information

Molecular Formula
C7H11NO3
SMILES
CN1[C@@H](CCC1=O)C(=O)OC
InChI
InChI=1S/C7H11NO3/c1-8-5(7(10)11-2)3-4-6(8)9/h5H,3-4H2,1-2H3/t5-/m0/s1
InChIKey
ABAOXDQXQHQRFA-YFKPBYRVSA-N
Compound name
methyl (2S)-1-methyl-5-oxopyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

98
Patents

157.0739 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.081176 130.9
[M+Na]+ 180.063118 139.1
[M-H]- 156.066624 133.3
[M+NH4]+ 175.107723 152.5
[M+K]+ 196.037058 139.1
[M+H-H2O]+ 140.071160 125.4
[M+HCOO]- 202.072101 152.7
[M+CH3COO]- 216.087751 175.5
[M+Na-2H]- 178.048566 133.4
[M]+ 157.07335142 131.4
[M]- 157.07444858 131.4
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