CID 3061334

Aziridine, 1-((o-nitrophenoxy)acetyl)-

Structural Information

Molecular Formula
C10H10N2O4
SMILES
C1CN1C(=O)COC2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C10H10N2O4/c13-10(11-5-6-11)7-16-9-4-2-1-3-8(9)12(14)15/h1-4H,5-7H2
InChIKey
UYLHFGYZOSYPLU-UHFFFAOYSA-N
Compound name
1-(aziridin-1-yl)-2-(2-nitrophenoxy)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.06406 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.071336 144.2
[M+Na]+ 245.053278 152.6
[M-H]- 221.056784 150.5
[M+NH4]+ 240.097883 155.5
[M+K]+ 261.027218 145.9
[M+H-H2O]+ 205.061320 141.2
[M+HCOO]- 267.062261 168.4
[M+CH3COO]- 281.077911 184.5
[M+Na-2H]- 243.038726 151.7
[M]+ 222.06351142 146.4
[M]- 222.06460858 146.4
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.