CID 45098214

500615-59-8

Structural Information

Molecular Formula

C₁₂H₁₆O

SMILES

CCC1CCC2=C(C1)C=CC(=C2)O

InChI

InChI=1S/C12H16O/c1-2-9-3-4-11-8-12(13)6-5-10(11)7-9/h5-6,8-9,13H,2-4,7H2,1H3

InChIKey

VTSMEPQNVJBDAA-UHFFFAOYSA-N

Compound name

6-ethyl-5,6,7,8-tetrahydronaphthalen-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 176.12012 Da
Monoisotopic Mass: 3.7
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	137.8
[M+Na]+	199.10934	144.8
[M-H]-	175.11284	140.7
[M+NH4]+	194.15394	158.7
[M+K]+	215.08328	141.4
[M+H-H2O]+	159.11738	132.4
[M+HCOO]-	221.11832	157.1
[M+CH3COO]-	235.13397	180.1
[M+Na-2H]-	197.09479	143.9
[M]+	176.11957	135.0
[M]-	176.12067	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe