CID 21438660

(3-azidophenyl)methanamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

148.07489 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.082166 125.4
[M+Na]+ 171.064108 132.3
[M-H]- 147.067614 131.5
[M+NH4]+ 166.108713 146.2
[M+K]+ 187.038048 126.4
[M+H-H2O]+ 131.072150 123.2
[M+HCOO]- 193.073091 157.7
[M+CH3COO]- 207.088741 180.5
[M+Na-2H]- 169.049556 136.7
[M]+ 148.07434142 121.3
[M]- 148.07543858 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

patents stripe