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

3
Annotation Hits: 0
References: 569
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]+	177.127396	138.6
[M+Na]+	199.109338	147.7
[M-H]-	175.112844	142.3
[M+NH4]+	194.153943	163.6
[M+K]+	215.083278	144.2
[M+H-H2O]+	159.117380	134.4
[M+HCOO]-	221.118321	160.2
[M+CH3COO]-	235.133971	179.3
[M+Na-2H]-	197.094786	144.3
[M]+	176.11957142	138.4
[M]-	176.12066858	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe