CID 117776696

Apn-azide

Structural Information

Molecular Formula
C9H4N4
SMILES
C1=CC(=CC=C1C#CC#N)N=[N+]=[N-]
InChI
InChI=1S/C9H4N4/c10-7-1-2-8-3-5-9(6-4-8)12-13-11/h3-6H
InChIKey
BDLXITYEYYHQNK-UHFFFAOYSA-N
Compound name
3-(4-azidophenyl)prop-2-ynenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

168.0436 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.05088 158.3
[M+Na]+ 191.03282 167.5
[M-H]- 167.03632 162.0
[M+NH4]+ 186.07742 171.1
[M+K]+ 207.00676 160.8
[M+H-H2O]+ 151.04086 145.6
[M+HCOO]- 213.04180 173.7
[M+CH3COO]- 227.05745 211.5
[M+Na-2H]- 189.01827 162.2
[M]+ 168.04305 147.9
[M]- 168.04415 147.9
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