CID 57558

N-p-anisyl-1-aziridinepropionamide

Structural Information

Molecular Formula
C12H16N2O2
SMILES
COC1=CC=C(C=C1)NC(=O)CCN2CC2
InChI
InChI=1S/C12H16N2O2/c1-16-11-4-2-10(3-5-11)13-12(15)6-7-14-8-9-14/h2-5H,6-9H2,1H3,(H,13,15)
InChIKey
DJPJFFFRGDGSFT-UHFFFAOYSA-N
Compound name
3-(aziridin-1-yl)-N-(4-methoxyphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.12119 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12847 150.8
[M+Na]+ 243.11041 159.0
[M-H]- 219.11391 156.9
[M+NH4]+ 238.15501 162.9
[M+K]+ 259.08435 155.6
[M+H-H2O]+ 203.11845 142.9
[M+HCOO]- 265.11939 174.4
[M+CH3COO]- 279.13504 193.7
[M+Na-2H]- 241.09586 156.2
[M]+ 220.12064 154.5
[M]- 220.12174 154.5
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.