CID 19030164

94135-14-5

Structural Information

Molecular Formula

C₁₅H₂₈O₂

SMILES

CC(C)(C1CCCCC1O)C2CCCCC2O

InChI

InChI=1S/C15H28O2/c1-15(2,11-7-3-5-9-13(11)16)12-8-4-6-10-14(12)17/h11-14,16-17H,3-10H2,1-2H3

InChIKey

VNFGHPHDNKDZBB-UHFFFAOYSA-N

Compound name

2-[2-(2-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 240.20892 Da
Monoisotopic Mass: 3.5
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]+	241.216196	160.5
[M+Na]+	263.198138	161.9
[M-H]-	239.201644	162.6
[M+NH4]+	258.242743	176.5
[M+K]+	279.172078	158.9
[M+H-H2O]+	223.206180	154.6
[M+HCOO]-	285.207121	171.7
[M+CH3COO]-	299.222771	188.9
[M+Na-2H]-	261.183586	160.6
[M]+	240.20837142	150.9
[M]-	240.20946858	150.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe