CID 47003530

2225141-21-7

Structural Information

Molecular Formula
C10H12N4
SMILES
CC1=NC(=NN1)C2=CC=C(C=C2)CN
InChI
InChI=1S/C10H12N4/c1-7-12-10(14-13-7)9-4-2-8(6-11)3-5-9/h2-5H,6,11H2,1H3,(H,12,13,14)
InChIKey
VYBKGUDJJZKRLN-UHFFFAOYSA-N
Compound name
[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.1062 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.11348 141.0
[M+Na]+ 211.09542 150.0
[M-H]- 187.09892 142.5
[M+NH4]+ 206.14002 157.4
[M+K]+ 227.06936 145.4
[M+H-H2O]+ 171.10346 132.4
[M+HCOO]- 233.10440 162.5
[M+CH3COO]- 247.12005 153.2
[M+Na-2H]- 209.08087 146.1
[M]+ 188.10565 138.3
[M]- 188.10675 138.3
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.