CID 14457544

114787-91-6

Structural Information

Molecular Formula

C₉H₁₂O₂

SMILES

CC1=C(C=CC(=C1)CO)OC

InChI

InChI=1S/C9H12O2/c1-7-5-8(6-10)3-4-9(7)11-2/h3-5,10H,6H2,1-2H3

InChIKey

UVIIQYUUEVQCOR-UHFFFAOYSA-N

Compound name

(4-methoxy-3-methylphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 146
Patents: 152.08372 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]+	153.090996	129.6
[M+Na]+	175.072938	138.5
[M-H]-	151.076444	132.6
[M+NH4]+	170.117543	150.8
[M+K]+	191.046878	136.8
[M+H-H2O]+	135.080980	124.6
[M+HCOO]-	197.081921	153.2
[M+CH3COO]-	211.097571	175.0
[M+Na-2H]-	173.058386	136.1
[M]+	152.08317142	131.4
[M]-	152.08426858	131.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe