CID 4778108

1-(1-ethylpropyl)-5-oxopyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C10H17NO3
SMILES
CCC(CC)N1CC(CC1=O)C(=O)O
InChI
InChI=1S/C10H17NO3/c1-3-8(4-2)11-6-7(10(13)14)5-9(11)12/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKey
SAABAXKBEHPTMY-UHFFFAOYSA-N
Compound name
5-oxo-1-pentan-3-ylpyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

199.12085 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.12813 145.6
[M+Na]+ 222.11007 151.8
[M-H]- 198.11357 146.2
[M+NH4]+ 217.15467 164.7
[M+K]+ 238.08401 150.6
[M+H-H2O]+ 182.11811 139.9
[M+HCOO]- 244.11905 163.8
[M+CH3COO]- 258.13470 183.6
[M+Na-2H]- 220.09552 144.8
[M]+ 199.12030 144.7
[M]- 199.12140 144.7
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