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

5
Patents

171.08954 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.096816 136.9
[M+Na]+ 194.078758 143.7
[M-H]- 170.082264 136.2
[M+NH4]+ 189.123363 158.1
[M+K]+ 210.052698 141.8
[M+H-H2O]+ 154.086800 132.3
[M+HCOO]- 216.087741 155.3
[M+CH3COO]- 230.103391 172.4
[M+Na-2H]- 192.064206 139.7
[M]+ 171.08899142 133.9
[M]- 171.09008858 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