CID 54328

78961-68-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.09464 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 143.7
[M+Na]+ 214.08386 153.2
[M-H]- 190.08736 150.0
[M+NH4]+ 209.12846 157.3
[M+K]+ 230.05780 150.4
[M+H-H2O]+ 174.09190 136.2
[M+HCOO]- 236.09284 166.6
[M+CH3COO]- 250.10849 186.2
[M+Na-2H]- 212.06931 149.2
[M]+ 191.09409 147.7
[M]- 191.09519 147.7
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.