CID 3053844

Aziridine, 1-(phenoxyacetyl)-

Structural Information

Molecular Formula
C10H11NO2
SMILES
C1CN1C(=O)COC2=CC=CC=C2
InChI
InChI=1S/C10H11NO2/c12-10(11-6-7-11)8-13-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKey
PVXVJDFPHRQLSW-UHFFFAOYSA-N
Compound name
1-(aziridin-1-yl)-2-phenoxyethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.07898 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 139.9
[M+Na]+ 200.06820 148.8
[M-H]- 176.07170 145.9
[M+NH4]+ 195.11280 153.6
[M+K]+ 216.04214 146.3
[M+H-H2O]+ 160.07624 132.2
[M+HCOO]- 222.07718 163.1
[M+CH3COO]- 236.09283 182.2
[M+Na-2H]- 198.05365 146.5
[M]+ 177.07843 143.0
[M]- 177.07953 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.