CID 544330

Refchem:487726

Structural Information

Molecular Formula

C₁₁H₂₂O

SMILES

CCC(=CCCC(C)CCO)C

InChI

InChI=1S/C11H22O/c1-4-10(2)6-5-7-11(3)8-9-12/h6,11-12H,4-5,7-9H2,1-3H3

InChIKey

AKGNHAWSXXEAPG-UHFFFAOYSA-N

Compound name

3,7-dimethylnon-6-en-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 145
Patents: 170.16707 Da
Monoisotopic Mass: 3.6
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]+	171.174346	145.1
[M+Na]+	193.156288	149.8
[M-H]-	169.159794	143.4
[M+NH4]+	188.200893	165.1
[M+K]+	209.130228	148.2
[M+H-H2O]+	153.164330	140.4
[M+HCOO]-	215.165271	164.3
[M+CH3COO]-	229.180921	181.7
[M+Na-2H]-	191.141736	146.5
[M]+	170.16652142	145.7
[M]-	170.16761858	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe