CID 527143

Menthadienol

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

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

InChI

InChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,10-11H,2,4-7H2,1H3

InChIKey

UIMAEYMKYMNCGW-UHFFFAOYSA-N

Compound name

2-(4-methylcyclohex-3-en-1-yl)prop-2-en-1-ol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 278
Patents: 152.12012 Da
Monoisotopic Mass: 2.1
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]+	153.127396	134.4
[M+Na]+	175.109338	139.9
[M-H]-	151.112844	136.1
[M+NH4]+	170.153943	154.9
[M+K]+	191.083278	137.7
[M+H-H2O]+	135.117380	129.4
[M+HCOO]-	197.118321	153.6
[M+CH3COO]-	211.133971	175.5
[M+Na-2H]-	173.094786	137.7
[M]+	152.11957142	130.4
[M]-	152.12066858	130.4

Literature stripe

literature stripe

Patent stripe

patents stripe