CID 10820829

141978-97-4

Structural Information

Molecular Formula
C7H11NO3
SMILES
CC1(CC(=O)NC1C(=O)O)C
InChI
InChI=1S/C7H11NO3/c1-7(2)3-4(9)8-5(7)6(10)11/h5H,3H2,1-2H3,(H,8,9)(H,10,11)
InChIKey
TVZZAWCQMQIZOO-UHFFFAOYSA-N
Compound name
3,3-dimethyl-5-oxopyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 131.2
[M+Na]+ 180.063118 139.4
[M-H]- 156.066624 131.2
[M+NH4]+ 175.107723 153.4
[M+K]+ 196.037058 137.8
[M+H-H2O]+ 140.071160 127.3
[M+HCOO]- 202.072101 149.9
[M+CH3COO]- 216.087751 170.6
[M+Na-2H]- 178.048566 134.1
[M]+ 157.07335142 128.3
[M]- 157.07444858 128.3
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