CID 82655420

3-(2-methylpropyl)-2-oxopyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C9H15NO3
SMILES
CC(C)CC1(CCNC1=O)C(=O)O
InChI
InChI=1S/C9H15NO3/c1-6(2)5-9(8(12)13)3-4-10-7(9)11/h6H,3-5H2,1-2H3,(H,10,11)(H,12,13)
InChIKey
JIXYLAKQFLQMFA-UHFFFAOYSA-N
Compound name
3-(2-methylpropyl)-2-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.1052 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.112476 141.5
[M+Na]+ 208.094418 147.7
[M-H]- 184.097924 140.8
[M+NH4]+ 203.139023 162.1
[M+K]+ 224.068358 146.0
[M+H-H2O]+ 168.102460 137.0
[M+HCOO]- 230.103401 158.6
[M+CH3COO]- 244.119051 176.4
[M+Na-2H]- 206.079866 142.7
[M]+ 185.10465142 138.3
[M]- 185.10574858 138.3
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

No patent data available for this compound.