CID 50987745

(5-methyl-1h-1,2,4-triazol-3-yl)(phenyl)methanamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.1062 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.113476 140.9
[M+Na]+ 211.095418 148.7
[M-H]- 187.098924 142.3
[M+NH4]+ 206.140023 156.9
[M+K]+ 227.069358 144.6
[M+H-H2O]+ 171.103460 132.2
[M+HCOO]- 233.104401 161.4
[M+CH3COO]- 247.120051 152.7
[M+Na-2H]- 209.080866 145.7
[M]+ 188.10565142 137.2
[M]- 188.10674858 137.2
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.