CID 3020200

5,9-dimethyl-8-decen-4-ol

Structural Information

Molecular Formula

C₁₂H₂₄O

SMILES

CCCC(C(C)CCC=C(C)C)O

InChI

InChI=1S/C12H24O/c1-5-7-12(13)11(4)9-6-8-10(2)3/h8,11-13H,5-7,9H2,1-4H3

InChIKey

WALJOKOFEWERTJ-UHFFFAOYSA-N

Compound name

5,9-dimethyldec-8-en-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 184.18271 Da
Monoisotopic Mass: 4.0
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]+	185.18999	149.8
[M+Na]+	207.17193	153.9
[M-H]-	183.17543	148.0
[M+NH4]+	202.21653	169.2
[M+K]+	223.14587	152.5
[M+H-H2O]+	167.17997	145.0
[M+HCOO]-	229.18091	167.7
[M+CH3COO]-	243.19656	185.6
[M+Na-2H]-	205.15738	149.4
[M]+	184.18216	150.2
[M]-	184.18326	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe