CID 75415919

2-(4-methyl-5-phenyl-4h-1,2,4-triazol-3-yl)ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C11H14N4
SMILES
CN1C(=NN=C1C2=CC=CC=C2)CCN
InChI
InChI=1S/C11H14N4/c1-15-10(7-8-12)13-14-11(15)9-5-3-2-4-6-9/h2-6H,7-8,12H2,1H3
InChIKey
GOBHPAUETQSBKS-UHFFFAOYSA-N
Compound name
2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.12184 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.129116 145.0
[M+Na]+ 225.111058 154.0
[M-H]- 201.114564 147.7
[M+NH4]+ 220.155663 161.5
[M+K]+ 241.084998 150.0
[M+H-H2O]+ 185.119100 135.9
[M+HCOO]- 247.120041 167.6
[M+CH3COO]- 261.135691 157.5
[M+Na-2H]- 223.096506 150.1
[M]+ 202.12129142 144.4
[M]- 202.12238858 144.4
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.