CID 54330

Aziridine, 1-((m-tolyloxy)acetyl)-

Structural Information

Molecular Formula
C11H13NO2
SMILES
CC1=CC(=CC=C1)OCC(=O)N2CC2
InChI
InChI=1S/C11H13NO2/c1-9-3-2-4-10(7-9)14-8-11(13)12-5-6-12/h2-4,7H,5-6,8H2,1H3
InChIKey
VGCBCMBQDBWMBT-UHFFFAOYSA-N
Compound name
1-(aziridin-1-yl)-2-(3-methylphenoxy)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.09464 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 143.9
[M+Na]+ 214.08386 157.9
[M+NH4]+ 209.12846 152.5
[M+K]+ 230.05780 153.0
[M-H]- 190.08736 153.2
[M+Na-2H]- 212.06931 153.5
[M]+ 191.09409 149.6
[M]- 191.09519 149.6
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.