CID 133412

80200-09-5

Structural Information

Molecular Formula

C₁₀H₁₀N₂O

SMILES

C1=CN(N=C1)CC2=CC=C(C=C2)O

InChI

InChI=1S/C10H10N2O/c13-10-4-2-9(3-5-10)8-12-7-1-6-11-12/h1-7,13H,8H2

InChIKey

SLCYYEKQDZIXOZ-UHFFFAOYSA-N

Compound name

4-(pyrazol-1-ylmethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 36
Patents: 174.07932 Da
Monoisotopic Mass: 1.4
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]+	175.086596	135.2
[M+Na]+	197.068538	144.0
[M-H]-	173.072044	138.3
[M+NH4]+	192.113143	153.8
[M+K]+	213.042478	140.7
[M+H-H2O]+	157.076580	127.5
[M+HCOO]-	219.077521	157.9
[M+CH3COO]-	233.093171	148.6
[M+Na-2H]-	195.053986	141.7
[M]+	174.07877142	134.6
[M]-	174.07986858	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe