CID 18329597

3-(azidomethyl)aniline hydrochloride

Structural Information

Molecular Formula
C7H8N4
SMILES
C1=CC(=CC(=C1)N)CN=[N+]=[N-]
InChI
InChI=1S/C7H8N4/c8-7-3-1-2-6(4-7)5-10-11-9/h1-4H,5,8H2
InChIKey
DVZQUGMAVTTXQM-UHFFFAOYSA-N
Compound name
3-(azidomethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.07489 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.08217 125.4
[M+Na]+ 171.06411 132.3
[M-H]- 147.06761 131.5
[M+NH4]+ 166.10871 146.2
[M+K]+ 187.03805 126.4
[M+H-H2O]+ 131.07215 123.2
[M+HCOO]- 193.07309 157.7
[M+CH3COO]- 207.08874 180.5
[M+Na-2H]- 169.04956 136.7
[M]+ 148.07434 121.3
[M]- 148.07544 121.3
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

No patent data available for this compound.