CID 21933413

Decahydro-alpha-methylnaphthalene-1-methanol

Structural Information

Molecular Formula

C₁₂H₂₂O

SMILES

CC(C1CCCC2C1CCCC2)O

InChI

InChI=1S/C12H22O/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h9-13H,2-8H2,1H3

InChIKey

RWNIDCZYUGZZQU-UHFFFAOYSA-N

Compound name

1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 182.16707 Da
Monoisotopic Mass: 3.9
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]+	183.174346	143.9
[M+Na]+	205.156288	146.5
[M-H]-	181.159794	145.3
[M+NH4]+	200.200893	163.9
[M+K]+	221.130228	144.2
[M+H-H2O]+	165.164330	138.3
[M+HCOO]-	227.165271	157.7
[M+CH3COO]-	241.180921	181.0
[M+Na-2H]-	203.141736	146.2
[M]+	182.16652142	135.7
[M]-	182.16761858	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe