CID 27162

Aziridine, 1-p-anisoyl-

Structural Information

Molecular Formula
C10H11NO2
SMILES
COC1=CC=C(C=C1)C(=O)N2CC2
InChI
InChI=1S/C10H11NO2/c1-13-9-4-2-8(3-5-9)10(12)11-6-7-11/h2-5H,6-7H2,1H3
InChIKey
HXICBHVTWBDOFR-UHFFFAOYSA-N
Compound name
aziridin-1-yl-(4-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.07898 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.086256 139.4
[M+Na]+ 200.068198 149.3
[M-H]- 176.071704 145.9
[M+NH4]+ 195.112803 153.5
[M+K]+ 216.042138 146.7
[M+H-H2O]+ 160.076240 132.1
[M+HCOO]- 222.077181 162.6
[M+CH3COO]- 236.092831 183.3
[M+Na-2H]- 198.053646 145.4
[M]+ 177.07843142 143.0
[M]- 177.07952858 143.0
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.