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]+ 203.12912 145.0
[M+Na]+ 225.11106 154.0
[M-H]- 201.11456 147.7
[M+NH4]+ 220.15566 161.5
[M+K]+ 241.08500 150.0
[M+H-H2O]+ 185.11910 135.9
[M+HCOO]- 247.12004 167.6
[M+CH3COO]- 261.13569 157.5
[M+Na-2H]- 223.09651 150.1
[M]+ 202.12129 144.4
[M]- 202.12239 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.