CID 22390713

2-[4-(4h-1,2,4-triazol-4-yl)phenyl]ethan-1-amine

Structural Information

Molecular Formula
C10H12N4
SMILES
C1=CC(=CC=C1CCN)N2C=NN=C2
InChI
InChI=1S/C10H12N4/c11-6-5-9-1-3-10(4-2-9)14-7-12-13-8-14/h1-4,7-8H,5-6,11H2
InChIKey
RFVLUEHMLQTRRC-UHFFFAOYSA-N
Compound name
2-[4-(1,2,4-triazol-4-yl)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

188.1062 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.11348 140.5
[M+Na]+ 211.09542 153.4
[M+NH4]+ 206.14002 148.3
[M+K]+ 227.06936 148.6
[M-H]- 187.09892 143.3
[M+Na-2H]- 209.08087 149.1
[M]+ 188.10565 143.0
[M]- 188.10675 143.0
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