CID 2776490

143426-50-0

Structural Information

Molecular Formula
C9H9N3O
SMILES
C1=CC(=CC=C1CO)N2C=NC=N2
InChI
InChI=1S/C9H9N3O/c13-5-8-1-3-9(4-2-8)12-7-10-6-11-12/h1-4,6-7,13H,5H2
InChIKey
KDBNYFBYMKEKAQ-UHFFFAOYSA-N
Compound name
[4-(1,2,4-triazol-1-yl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

38
Patents

175.07455 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.081826 135.2
[M+Na]+ 198.063768 144.5
[M-H]- 174.067274 137.0
[M+NH4]+ 193.108373 152.3
[M+K]+ 214.037708 141.1
[M+H-H2O]+ 158.071810 126.7
[M+HCOO]- 220.072751 156.8
[M+CH3COO]- 234.088401 148.2
[M+Na-2H]- 196.049216 142.1
[M]+ 175.07400142 134.8
[M]- 175.07509858 134.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe