CID 61361423

1674390-01-2

Structural Information

Molecular Formula
C10H12N4
SMILES
C1=CC=C(C=C1)CC(C2=NC=NN2)N
InChI
InChI=1S/C10H12N4/c11-9(10-12-7-13-14-10)6-8-4-2-1-3-5-8/h1-5,7,9H,6,11H2,(H,12,13,14)
InChIKey
AXMNKOLZLQLXHC-UHFFFAOYSA-N
Compound name
2-phenyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.1062 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.11348 140.2
[M+Na]+ 211.09542 147.0
[M-H]- 187.09892 141.1
[M+NH4]+ 206.14002 155.9
[M+K]+ 227.06936 143.0
[M+H-H2O]+ 171.10346 131.2
[M+HCOO]- 233.10440 160.8
[M+CH3COO]- 247.12005 151.7
[M+Na-2H]- 209.08087 145.9
[M]+ 188.10565 136.1
[M]- 188.10675 136.1
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.