CID 11446327

3-methylhepta-2,6-dien-1-ol

Structural Information

Molecular Formula

C₈H₁₄O

SMILES

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

InChI

InChI=1S/C8H14O/c1-3-4-5-8(2)6-7-9/h3,6,9H,1,4-5,7H2,2H3/b8-6+

InChIKey

MSQFYBKYYIVVAG-SOFGYWHQSA-N

Compound name

(2E)-3-methylhepta-2,6-dien-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 126.10446 Da
Monoisotopic Mass: 2.0
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]+	127.11174	129.2
[M+Na]+	149.09368	135.7
[M-H]-	125.09718	128.0
[M+NH4]+	144.13828	150.9
[M+K]+	165.06762	133.8
[M+H-H2O]+	109.10172	125.1
[M+HCOO]-	171.10266	150.6
[M+CH3COO]-	185.11831	170.9
[M+Na-2H]-	147.07913	133.6
[M]+	126.10391	128.7
[M]-	126.10501	128.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe