CID 16640531

956804-29-8

Structural Information

Molecular Formula

C₁₂H₁₄N₂O

SMILES

CC1=CC(=NN1C2=CC=CC(=C2)CO)C

InChI

InChI=1S/C12H14N2O/c1-9-6-10(2)14(13-9)12-5-3-4-11(7-12)8-15/h3-7,15H,8H2,1-2H3

InChIKey

YBJPENYCYFTYOY-UHFFFAOYSA-N

Compound name

[3-(3,5-dimethylpyrazol-1-yl)phenyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 202.11061 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	203.11789	144.3
[M+Na]+	225.09983	154.1
[M-H]-	201.10333	147.9
[M+NH4]+	220.14443	162.4
[M+K]+	241.07377	150.3
[M+H-H2O]+	185.10787	136.8
[M+HCOO]-	247.10881	166.3
[M+CH3COO]-	261.12446	184.1
[M+Na-2H]-	223.08528	148.2
[M]+	202.11006	145.3
[M]-	202.11116	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe