CID 4315161

52578-66-2

Structural Information

Molecular Formula
C8H8N4O
SMILES
CC(=O)NC1=CC=C(C=C1)N=[N+]=[N-]
InChI
InChI=1S/C8H8N4O/c1-6(13)10-7-2-4-8(5-3-7)11-12-9/h2-5H,1H3,(H,10,13)
InChIKey
STBMXWORHXFHES-UHFFFAOYSA-N
Compound name
N-(4-azidophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

33
Patents

176.06981 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.077086 133.0
[M+Na]+ 199.059028 139.5
[M-H]- 175.062534 139.6
[M+NH4]+ 194.103633 152.8
[M+K]+ 215.032968 134.0
[M+H-H2O]+ 159.067070 130.5
[M+HCOO]- 221.068011 165.1
[M+CH3COO]- 235.083661 185.3
[M+Na-2H]- 197.044476 143.6
[M]+ 176.06926142 130.2
[M]- 176.07035858 130.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe