CID 18525775

3-[(1h-1,2,4-triazol-1-yl)methyl]benzyl alcohol

Structural Information

Molecular Formula
C10H11N3O
SMILES
C1=CC(=CC(=C1)CO)CN2C=NC=N2
InChI
InChI=1S/C10H11N3O/c14-6-10-3-1-2-9(4-10)5-13-8-11-7-12-13/h1-4,7-8,14H,5-6H2
InChIKey
PZRKSBSNVMSIJI-UHFFFAOYSA-N
Compound name
[3-(1,2,4-triazol-1-ylmethyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

189.09021 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.09749 139.7
[M+Na]+ 212.07943 148.5
[M-H]- 188.08293 141.3
[M+NH4]+ 207.12403 156.3
[M+K]+ 228.05337 145.0
[M+H-H2O]+ 172.08747 131.0
[M+HCOO]- 234.08841 161.0
[M+CH3COO]- 248.10406 152.3
[M+Na-2H]- 210.06488 146.1
[M]+ 189.08966 139.6
[M]- 189.09076 139.6
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