CID 6481684

1-phenyl-2-(triazol-2-yl)ethanol

Structural Information

Molecular Formula
C10H11N3O
SMILES
C1=CC=C(C=C1)C(CN2N=CC=N2)O
InChI
InChI=1S/C10H11N3O/c14-10(8-13-11-6-7-12-13)9-4-2-1-3-5-9/h1-7,10,14H,8H2
InChIKey
GDWNORHMCZZDKQ-UHFFFAOYSA-N
Compound name
1-phenyl-2-(triazol-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.09021 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.09749 139.9
[M+Na]+ 212.07943 147.4
[M-H]- 188.08293 141.2
[M+NH4]+ 207.12403 156.0
[M+K]+ 228.05337 144.4
[M+H-H2O]+ 172.08747 131.0
[M+HCOO]- 234.08841 160.1
[M+CH3COO]- 248.10406 151.9
[M+Na-2H]- 210.06488 145.8
[M]+ 189.08966 138.8
[M]- 189.09076 138.8
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.