CID 57173216

1-benzyl-n-methyl-1h-1,2,3-triazol-4-amine

Structural Information

Molecular Formula
C10H12N4
SMILES
CNC1=CN(N=N1)CC2=CC=CC=C2
InChI
InChI=1S/C10H12N4/c1-11-10-8-14(13-12-10)7-9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3
InChIKey
DYTZXKWPVUWABS-UHFFFAOYSA-N
Compound name
1-benzyl-N-methyltriazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

188.1062 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.113476 139.6
[M+Na]+ 211.095418 148.0
[M-H]- 187.098924 142.5
[M+NH4]+ 206.140023 156.6
[M+K]+ 227.069358 144.7
[M+H-H2O]+ 171.103460 130.3
[M+HCOO]- 233.104401 163.2
[M+CH3COO]- 247.120051 152.4
[M+Na-2H]- 209.080866 147.0
[M]+ 188.10565142 139.3
[M]- 188.10674858 139.3
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

patents stripe