CID 14114269

25634-94-0

Structural Information

Molecular Formula

C₁₂H₁₆O

SMILES

CC1(CCCC2=CC=CC=C21)CO

InChI

InChI=1S/C12H16O/c1-12(9-13)8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,13H,4,6,8-9H2,1H3

InChIKey

BVOXKRPQUJYDDZ-UHFFFAOYSA-N

Compound name

(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 176.12012 Da
Monoisotopic Mass: 2.8
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]+	177.12740	138.8
[M+Na]+	199.10934	145.9
[M-H]-	175.11284	141.8
[M+NH4]+	194.15394	161.5
[M+K]+	215.08328	142.6
[M+H-H2O]+	159.11738	133.6
[M+HCOO]-	221.11832	158.2
[M+CH3COO]-	235.13397	178.5
[M+Na-2H]-	197.09479	146.5
[M]+	176.11957	135.9
[M]-	176.12067	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe