CID 13011452

3-(2-methyl-5-oxopyrrolidin-2-yl)propanoic acid

Structural Information

Molecular Formula
C8H13NO3
SMILES
CC1(CCC(=O)N1)CCC(=O)O
InChI
InChI=1S/C8H13NO3/c1-8(5-3-7(11)12)4-2-6(10)9-8/h2-5H2,1H3,(H,9,10)(H,11,12)
InChIKey
IYZLKGGASXHCNA-UHFFFAOYSA-N
Compound name
3-(2-methyl-5-oxopyrrolidin-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

171.08954 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09682 136.9
[M+Na]+ 194.07876 143.7
[M-H]- 170.08226 136.2
[M+NH4]+ 189.12336 158.1
[M+K]+ 210.05270 141.8
[M+H-H2O]+ 154.08680 132.3
[M+HCOO]- 216.08774 155.3
[M+CH3COO]- 230.10339 172.4
[M+Na-2H]- 192.06421 139.7
[M]+ 171.08899 133.9
[M]- 171.09009 133.9
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