CID 598865

20351-54-6

Structural Information

Molecular Formula

C₁₃H₁₄O

SMILES

CC(C)(C1=CC2=CC=CC=C2C=C1)O

InChI

InChI=1S/C13H14O/c1-13(2,14)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,14H,1-2H3

InChIKey

CSONNHKIVVSLQQ-UHFFFAOYSA-N

Compound name

2-naphthalen-2-ylpropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 273
Patents: 186.10446 Da
Monoisotopic Mass: 3.2
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]+	187.11174	140.1
[M+Na]+	209.09368	148.3
[M-H]-	185.09718	143.6
[M+NH4]+	204.13828	160.7
[M+K]+	225.06762	144.7
[M+H-H2O]+	169.10172	134.9
[M+HCOO]-	231.10266	160.5
[M+CH3COO]-	245.11831	181.7
[M+Na-2H]-	207.07913	149.1
[M]+	186.10391	139.8
[M]-	186.10501	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe