CID 20301459

51473-70-2

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

CC(C)C1=CC=CC(=C1)CO

InChI

InChI=1S/C10H14O/c1-8(2)10-5-3-4-9(6-10)7-11/h3-6,8,11H,7H2,1-2H3

InChIKey

LZTPHEMZYFRQGB-UHFFFAOYSA-N

Compound name

(3-propan-2-ylphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 424
Patents: 150.10446 Da
Monoisotopic Mass: 2.4
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]+	151.11174	131.9
[M+Na]+	173.09368	139.2
[M-H]-	149.09718	134.4
[M+NH4]+	168.13828	152.8
[M+K]+	189.06762	137.2
[M+H-H2O]+	133.10172	126.9
[M+HCOO]-	195.10266	154.0
[M+CH3COO]-	209.11831	175.7
[M+Na-2H]-	171.07913	137.3
[M]+	150.10391	131.6
[M]-	150.10501	131.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe