CID 35482

3-methylhex-2-en-1-ol

Structural Information

Molecular Formula

C₇H₁₄O

SMILES

CCCC(=CCO)C

InChI

InChI=1S/C7H14O/c1-3-4-7(2)5-6-8/h5,8H,3-4,6H2,1-2H3

InChIKey

CKWCTBJSFBLMOH-UHFFFAOYSA-N

Compound name

3-methylhex-2-en-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 98
Patents: 114.10446 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]+	115.11174	126.2
[M+Na]+	137.09368	132.8
[M-H]-	113.09718	125.1
[M+NH4]+	132.13828	148.5
[M+K]+	153.06762	131.8
[M+H-H2O]+	97.101720	122.2
[M+HCOO]-	159.10266	147.7
[M+CH3COO]-	173.11831	168.8
[M+Na-2H]-	135.07913	131.1
[M]+	114.10391	126.0
[M]-	114.10501	126.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe