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 139.9
[M+Na]+ 211.09542 148.3
[M-H]- 187.09892 142.4
[M+NH4]+ 206.14002 156.7
[M+K]+ 227.06936 144.7
[M+H-H2O]+ 171.10346 130.6
[M+HCOO]- 233.10440 162.9
[M+CH3COO]- 247.12005 152.4
[M+Na-2H]- 209.08087 146.3
[M]+ 188.10565 138.6
[M]- 188.10675 138.6
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