CID 5319723

Cis-myrcenol 8

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

C/C(=C\CCC(=C)C=C)/CO

InChI

InChI=1S/C10H16O/c1-4-9(2)6-5-7-10(3)8-11/h4,7,11H,1-2,5-6,8H2,3H3/b10-7+

InChIKey

IEVYLQISZQFFGA-JXMROGBWSA-N

Compound name

(2E)-2-methyl-6-methylideneocta-2,7-dien-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 68
Patents: 152.12012 Da
Monoisotopic Mass: 3.1
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	137.0
[M+Na]+	175.109338	142.7
[M-H]-	151.112844	135.5
[M+NH4]+	170.153943	157.5
[M+K]+	191.083278	140.1
[M+H-H2O]+	135.117380	132.6
[M+HCOO]-	197.118321	156.9
[M+CH3COO]-	211.133971	176.8
[M+Na-2H]-	173.094786	139.1
[M]+	152.11957142	135.9
[M]-	152.12066858	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe