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]+ 189.113476 141.0
[M+Na]+ 211.095418 150.0
[M-H]- 187.098924 142.5
[M+NH4]+ 206.140023 157.4
[M+K]+ 227.069358 145.4
[M+H-H2O]+ 171.103460 132.4
[M+HCOO]- 233.104401 162.5
[M+CH3COO]- 247.120051 153.2
[M+Na-2H]- 209.080866 146.1
[M]+ 188.10565142 138.3
[M]- 188.10674858 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.