CID 577045

1-isopropenyl-4-methyl-1,4-cyclohexanediol

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

CC(=C)C1(CCC(CC1)(C)O)O

InChI

InChI=1S/C10H18O2/c1-8(2)10(12)6-4-9(3,11)5-7-10/h11-12H,1,4-7H2,2-3H3

InChIKey

NOEYMSNOKJWDPH-UHFFFAOYSA-N

Compound name

1-methyl-4-prop-1-en-2-ylcyclohexane-1,4-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 170.13068 Da
Monoisotopic Mass: 1.4
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]+	171.137956	138.7
[M+Na]+	193.119898	144.6
[M-H]-	169.123404	139.5
[M+NH4]+	188.164503	161.7
[M+K]+	209.093838	142.8
[M+H-H2O]+	153.127940	135.8
[M+HCOO]-	215.128881	155.2
[M+CH3COO]-	229.144531	174.7
[M+Na-2H]-	191.105346	143.0
[M]+	170.13013142	133.6
[M]-	170.13122858	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe