CID 93024

Uroterpenol

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

CC1=CCC(CC1)C(C)(CO)O

InChI

InChI=1S/C10H18O2/c1-8-3-5-9(6-4-8)10(2,12)7-11/h3,9,11-12H,4-7H2,1-2H3

InChIKey

ZJALAEQNHJQSTN-UHFFFAOYSA-N

Compound name

2-(4-methylcyclohex-3-en-1-yl)propane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 71
Patents: 170.13068 Da
Monoisotopic Mass: 0.8
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	139.2
[M+Na]+	193.119898	144.7
[M-H]-	169.123404	139.7
[M+NH4]+	188.164503	158.5
[M+K]+	209.093838	142.6
[M+H-H2O]+	153.127940	134.8
[M+HCOO]-	215.128881	156.4
[M+CH3COO]-	229.144531	175.3
[M+Na-2H]-	191.105346	144.0
[M]+	170.13013142	135.7
[M]-	170.13122858	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe