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]+ 235.14411 155.0
[M+Na]+ 257.12605 162.8
[M-H]- 233.12955 160.9
[M+NH4]+ 252.17065 166.6
[M+K]+ 273.09999 159.2
[M+H-H2O]+ 217.13409 146.9
[M+HCOO]- 279.13503 178.3
[M+CH3COO]- 293.15068 196.6
[M+Na-2H]- 255.11150 159.9
[M]+ 234.13628 159.0
[M]- 234.13738 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.