CID 57557

N-(m-methoxybenzyl)-1-aziridinepropionamide

Structural Information

Molecular Formula
C13H18N2O2
SMILES
COC1=CC=CC(=C1)CNC(=O)CCN2CC2
InChI
InChI=1S/C13H18N2O2/c1-17-12-4-2-3-11(9-12)10-14-13(16)5-6-15-7-8-15/h2-4,9H,5-8,10H2,1H3,(H,14,16)
InChIKey
ICZWFKWDFPJMMI-UHFFFAOYSA-N
Compound name
3-(aziridin-1-yl)-N-[(3-methoxyphenyl)methyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.13683 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.144106 155.0
[M+Na]+ 257.126048 162.8
[M-H]- 233.129554 160.9
[M+NH4]+ 252.170653 166.6
[M+K]+ 273.099988 159.2
[M+H-H2O]+ 217.134090 146.9
[M+HCOO]- 279.135031 178.3
[M+CH3COO]- 293.150681 196.6
[M+Na-2H]- 255.111496 159.9
[M]+ 234.13628142 159.0
[M]- 234.13737858 159.0
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

No patent data available for this compound.