CID 9504037

1049720-38-8

Structural Information

Molecular Formula
C10H12N4
SMILES
C1=CC(=CC=C1CN)CN2C=NC=N2
InChI
InChI=1S/C10H12N4/c11-5-9-1-3-10(4-2-9)6-14-8-12-7-13-14/h1-4,7-8H,5-6,11H2
InChIKey
KMPKPILPTOOGNK-UHFFFAOYSA-N
Compound name
[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

188.1062 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.113476 139.9
[M+Na]+ 211.095418 148.3
[M-H]- 187.098924 142.4
[M+NH4]+ 206.140023 156.7
[M+K]+ 227.069358 144.7
[M+H-H2O]+ 171.103460 130.6
[M+HCOO]- 233.104401 162.9
[M+CH3COO]- 247.120051 152.4
[M+Na-2H]- 209.080866 146.3
[M]+ 188.10565142 138.6
[M]- 188.10674858 138.6
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