CID 117436

1-(beta-phenylethyl)triazolo(4,5-c)pyridine hydrochloride

Structural Information

Molecular Formula
C13H12N4
SMILES
C1=CC=C(C=C1)CCN2C3=C(C=NC=C3)N=N2
InChI
InChI=1S/C13H12N4/c1-2-4-11(5-3-1)7-9-17-13-6-8-14-10-12(13)15-16-17/h1-6,8,10H,7,9H2
InChIKey
LKNADSOUEMRUST-UHFFFAOYSA-N
Compound name
1-(2-phenylethyl)triazolo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.1062 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.11348 149.0
[M+Na]+ 247.09542 159.5
[M-H]- 223.09892 151.6
[M+NH4]+ 242.14002 164.4
[M+K]+ 263.06936 154.1
[M+H-H2O]+ 207.10346 138.7
[M+HCOO]- 269.10440 170.2
[M+CH3COO]- 283.12005 161.3
[M+Na-2H]- 245.08087 157.9
[M]+ 224.10565 151.0
[M]- 224.10675 151.0
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

No patent data available for this compound.