CID 59817957

1107632-55-2

Structural Information

Molecular Formula
C9H10N4
SMILES
C1=CC(=CC=C1CN)N2C=CN=N2
InChI
InChI=1S/C9H10N4/c10-7-8-1-3-9(4-2-8)13-6-5-11-12-13/h1-6H,7,10H2
InChIKey
VUNXEIFTRGQGPP-UHFFFAOYSA-N
Compound name
[4-(triazol-1-yl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

174.09055 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.09783 136.0
[M+Na]+ 197.07977 149.1
[M+NH4]+ 192.12437 144.0
[M+K]+ 213.05371 144.5
[M-H]- 173.08327 138.8
[M+Na-2H]- 195.06522 144.8
[M]+ 174.09000 138.5
[M]- 174.09110 138.5
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.