CID 54327

Aziridine, 1-((4-nitrophenoxy)acetyl)-

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

222.06406 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.07134 149.9
[M+Na]+ 245.05328 163.7
[M+NH4]+ 240.09788 157.5
[M+K]+ 261.02722 162.2
[M-H]- 221.05678 159.7
[M+Na-2H]- 243.03873 158.5
[M]+ 222.06351 155.5
[M]- 222.06461 155.5
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

patents stripe