CID 11367306

285977-85-7

Structural Information

Molecular Formula

C₁₂H₁₆O

SMILES

CC1=CC2=C(CC(C2)(C)CO)C=C1

InChI

InChI=1S/C12H16O/c1-9-3-4-10-6-12(2,8-13)7-11(10)5-9/h3-5,13H,6-8H2,1-2H3

InChIKey

UWSPWQQZFOSTHS-UHFFFAOYSA-N

Compound name

(2,5-dimethyl-1,3-dihydroinden-2-yl)methanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 633
Patents: 176.12012 Da
Monoisotopic Mass: 2.5
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	138.5
[M+Na]+	199.10934	150.9
[M+NH4]+	194.15394	149.9
[M+K]+	215.08328	143.6
[M-H]-	175.11284	141.1
[M+Na-2H]-	197.09479	145.3
[M]+	176.11957	141.2
[M]-	176.12067	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe