CID 228142

Octahydro-1h-inden-5-ol

Structural Information

Molecular Formula

C₉H₁₆O

SMILES

C1CC2CCC(CC2C1)O

InChI

InChI=1S/C9H16O/c10-9-5-4-7-2-1-3-8(7)6-9/h7-10H,1-6H2

InChIKey

IGRYUSXMPCQPHK-UHFFFAOYSA-N

Compound name

2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 140.12012 Da
Monoisotopic Mass: 2.4
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]+	141.127396	131.3
[M+Na]+	163.109338	136.4
[M-H]-	139.112844	133.5
[M+NH4]+	158.153943	155.0
[M+K]+	179.083278	134.2
[M+H-H2O]+	123.117380	126.6
[M+HCOO]-	185.118321	149.4
[M+CH3COO]-	199.133971	170.7
[M+Na-2H]-	161.094786	135.0
[M]+	140.11957142	124.8
[M]-	140.12066858	124.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe