CID 18410237

3-methyl-2-(2-oxopyrrolidin-1-yl)butanoic acid

Structural Information

Molecular Formula
C9H15NO3
SMILES
CC(C)C(C(=O)O)N1CCCC1=O
InChI
InChI=1S/C9H15NO3/c1-6(2)8(9(12)13)10-5-3-4-7(10)11/h6,8H,3-5H2,1-2H3,(H,12,13)
InChIKey
WJZAJCDDTQLUJW-UHFFFAOYSA-N
Compound name
3-methyl-2-(2-oxopyrrolidin-1-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

185.1052 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.112476 141.9
[M+Na]+ 208.094418 147.3
[M-H]- 184.097924 142.3
[M+NH4]+ 203.139023 161.1
[M+K]+ 224.068358 146.8
[M+H-H2O]+ 168.102460 136.1
[M+HCOO]- 230.103401 159.4
[M+CH3COO]- 244.119051 180.3
[M+Na-2H]- 206.079866 141.0
[M]+ 185.10465142 139.6
[M]- 185.10574858 139.6
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