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

1
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 138.5
[M+Na]+ 194.07876 146.2
[M+NH4]+ 189.12336 145.8
[M+K]+ 210.05270 142.5
[M-H]- 170.08226 136.4
[M+Na-2H]- 192.06421 141.4
[M]+ 171.08899 138.6
[M]- 171.09009 138.6
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