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

9
Patents

199.12085 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.128126 145.6
[M+Na]+ 222.110068 151.8
[M-H]- 198.113574 146.2
[M+NH4]+ 217.154673 164.7
[M+K]+ 238.084008 150.6
[M+H-H2O]+ 182.118110 139.9
[M+HCOO]- 244.119051 163.8
[M+CH3COO]- 258.134701 183.6
[M+Na-2H]- 220.095516 144.8
[M]+ 199.12030142 144.7
[M]- 199.12139858 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