CID 3332472

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

Structural Information

Molecular Formula
C10H12N4
SMILES
C1=CC=C(C=C1)C2=NNC(=N2)CCN
InChI
InChI=1S/C10H12N4/c11-7-6-9-12-10(14-13-9)8-4-2-1-3-5-8/h1-5H,6-7,11H2,(H,12,13,14)
InChIKey
FJGWIYGKBUMGKA-UHFFFAOYSA-N
Compound name
2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

188.1062 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.11348 140.2
[M+Na]+ 211.09542 148.3
[M-H]- 187.09892 141.4
[M+NH4]+ 206.14002 156.3
[M+K]+ 227.06936 143.7
[M+H-H2O]+ 171.10346 131.3
[M+HCOO]- 233.10440 161.7
[M+CH3COO]- 247.12005 152.1
[M+Na-2H]- 209.08087 146.2
[M]+ 188.10565 137.1
[M]- 188.10675 137.1
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

patents stripe