CID 217040

38032-71-2

Structural Information

Molecular Formula

C₁₆H₂₂O

SMILES

C1CCC(CC1)C2=CC3=C(C=C2)C(CC3)CO

InChI

InChI=1S/C16H22O/c17-11-15-7-6-14-10-13(8-9-16(14)15)12-4-2-1-3-5-12/h8-10,12,15,17H,1-7,11H2

InChIKey

SSDXQJLLPQJSSU-UHFFFAOYSA-N

Compound name

(5-cyclohexyl-2,3-dihydro-1H-inden-1-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 230.16707 Da
Monoisotopic Mass: 4.2
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]+	231.17435	154.9
[M+Na]+	253.15629	159.4
[M-H]-	229.15979	160.0
[M+NH4]+	248.20089	174.8
[M+K]+	269.13023	154.7
[M+H-H2O]+	213.16433	148.4
[M+HCOO]-	275.16527	172.2
[M+CH3COO]-	289.18092	165.9
[M+Na-2H]-	251.14174	156.4
[M]+	230.16652	148.8
[M]-	230.16762	148.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe