CID 90811

3-methyl-1-nonen-3-ol

Structural Information

Molecular Formula

C₁₀H₂₀O

SMILES

CCCCCCC(C)(C=C)O

InChI

InChI=1S/C10H20O/c1-4-6-7-8-9-10(3,11)5-2/h5,11H,2,4,6-9H2,1,3H3

InChIKey

CXFWZMIYAODOSX-UHFFFAOYSA-N

Compound name

3-methylnon-1-en-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 20
Patents: 156.15141 Da
Monoisotopic Mass: 3.3
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]+	157.15869	139.3
[M+Na]+	179.14063	145.3
[M-H]-	155.14413	137.9
[M+NH4]+	174.18523	160.0
[M+K]+	195.11457	143.4
[M+H-H2O]+	139.14867	135.3
[M+HCOO]-	201.14961	159.2
[M+CH3COO]-	215.16526	178.0
[M+Na-2H]-	177.12608	144.5
[M]+	156.15086	140.5
[M]-	156.15196	140.5

Literature stripe

literature stripe

Patent stripe

patents stripe