CID 22840775

Propyl 5-oxo-l-prolinate

Structural Information

Molecular Formula
C8H13NO3
SMILES
CCCOC(=O)[C@@H]1CCC(=O)N1
InChI
InChI=1S/C8H13NO3/c1-2-5-12-8(11)6-3-4-7(10)9-6/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1
InChIKey
BGXWNKLNZHEEMA-LURJTMIESA-N
Compound name
propyl (2S)-5-oxopyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

91
Patents

171.08954 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.096816 137.4
[M+Na]+ 194.078758 143.8
[M-H]- 170.082264 137.8
[M+NH4]+ 189.123363 157.4
[M+K]+ 210.052698 142.6
[M+H-H2O]+ 154.086800 131.5
[M+HCOO]- 216.087741 157.3
[M+CH3COO]- 230.103391 174.7
[M+Na-2H]- 192.064206 139.4
[M]+ 171.08899142 135.9
[M]- 171.09008858 135.9
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