CID 707096

(2-phenyl-2h-1,2,3-triazol-4-yl)methanol

Structural Information

Molecular Formula
C9H9N3O
SMILES
C1=CC=C(C=C1)N2N=CC(=N2)CO
InChI
InChI=1S/C9H9N3O/c13-7-8-6-10-12(11-8)9-4-2-1-3-5-9/h1-6,13H,7H2
InChIKey
FSQUEGQOOFGQGQ-UHFFFAOYSA-N
Compound name
(2-phenyltriazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

175.07455 Da
Monoisotopic Mass

1.1
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