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

3
Patents

207.06439 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.071666 138.0
[M+Na]+ 230.053608 146.2
[M-H]- 206.057114 144.5
[M+NH4]+ 225.098213 149.8
[M+K]+ 246.027548 139.1
[M+H-H2O]+ 190.061650 135.2
[M+HCOO]- 252.062591 163.5
[M+CH3COO]- 266.078241 183.5
[M+Na-2H]- 228.039056 146.6
[M]+ 207.06384142 137.8
[M]- 207.06493858 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