CID 129397

N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

Structural Information

Molecular Formula
C9H16N2O2
SMILES
CC(=O)NCCCN1CCCC1=O
InChI
InChI=1S/C9H16N2O2/c1-8(12)10-5-3-7-11-6-2-4-9(11)13/h2-7H2,1H3,(H,10,12)
InChIKey
OAUYENAPBFTAQT-UHFFFAOYSA-N
Compound name
N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

168
Patents

184.12119 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.12847 142.3
[M+Na]+ 207.11041 147.8
[M-H]- 183.11391 143.9
[M+NH4]+ 202.15501 162.1
[M+K]+ 223.08435 146.7
[M+H-H2O]+ 167.11845 135.6
[M+HCOO]- 229.11939 164.2
[M+CH3COO]- 243.13504 183.2
[M+Na-2H]- 205.09586 144.6
[M]+ 184.12064 140.8
[M]- 184.12174 140.8
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