CID 83529056

1,3-dimethyl-5-oxopyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C7H11NO3
SMILES
CC1(CC(=O)N(C1)C)C(=O)O
InChI
InChI=1S/C7H11NO3/c1-7(6(10)11)3-5(9)8(2)4-7/h3-4H2,1-2H3,(H,10,11)
InChIKey
VAWAHMBIMWIMAA-UHFFFAOYSA-N
Compound name
1,3-dimethyl-5-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]+ 158.081176 129.9
[M+Na]+ 180.063118 138.6
[M-H]- 156.066624 131.3
[M+NH4]+ 175.107723 152.8
[M+K]+ 196.037058 137.8
[M+H-H2O]+ 140.071160 125.8
[M+HCOO]- 202.072101 150.2
[M+CH3COO]- 216.087751 173.1
[M+Na-2H]- 178.048566 133.3
[M]+ 157.07335142 128.9
[M]- 157.07444858 128.9
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