CID 7164580

3-(1h-pyrazol-1-yl)benzyl alcohol

Structural Information

Molecular Formula
C10H10N2O
SMILES
C1=CC(=CC(=C1)N2C=CC=N2)CO
InChI
InChI=1S/C10H10N2O/c13-8-9-3-1-4-10(7-9)12-6-2-5-11-12/h1-7,13H,8H2
InChIKey
VINVOQJANISHSK-UHFFFAOYSA-N
Compound name
(3-pyrazol-1-ylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

174.07932 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.08660 135.2
[M+Na]+ 197.06854 144.0
[M-H]- 173.07204 138.3
[M+NH4]+ 192.11314 153.8
[M+K]+ 213.04248 140.7
[M+H-H2O]+ 157.07658 127.5
[M+HCOO]- 219.07752 157.9
[M+CH3COO]- 233.09317 148.6
[M+Na-2H]- 195.05399 141.7
[M]+ 174.07877 134.6
[M]- 174.07987 134.6
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

No patent data available for this compound.