CID 3151004

5-oxo-1-(propan-2-yl)pyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C8H13NO3
SMILES
CC(C)N1CC(CC1=O)C(=O)O
InChI
InChI=1S/C8H13NO3/c1-5(2)9-4-6(8(11)12)3-7(9)10/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKey
YKWIPHFVESIOGN-UHFFFAOYSA-N
Compound name
5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

57
Patents

171.08954 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09682 136.3
[M+Na]+ 194.07876 143.4
[M-H]- 170.08226 137.3
[M+NH4]+ 189.12336 156.5
[M+K]+ 210.05270 142.7
[M+H-H2O]+ 154.08680 131.0
[M+HCOO]- 216.08774 155.2
[M+CH3COO]- 230.10339 177.5
[M+Na-2H]- 192.06421 136.6
[M]+ 171.08899 134.7
[M]- 171.09009 134.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe