CID 19281

3647-22-1

Structural Information

Molecular Formula
C9H9N3O3
SMILES
C1CN1C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C9H9N3O3/c13-9(11-5-6-11)10-7-1-3-8(4-2-7)12(14)15/h1-4H,5-6H2,(H,10,13)
InChIKey
DFLQWHHEKWANDH-UHFFFAOYSA-N
Compound name
N-(4-nitrophenyl)aziridine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

207.06439 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.07167 138.0
[M+Na]+ 230.05361 146.2
[M-H]- 206.05711 144.5
[M+NH4]+ 225.09821 149.8
[M+K]+ 246.02755 139.1
[M+H-H2O]+ 190.06165 135.2
[M+HCOO]- 252.06259 163.5
[M+CH3COO]- 266.07824 183.5
[M+Na-2H]- 228.03906 146.6
[M]+ 207.06384 137.8
[M]- 207.06494 137.8
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