CID 74363

Hept-3-en-1-ol

Structural Information

Molecular Formula

C₇H₁₄O

SMILES

CCCC=CCCO

InChI

InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h4-5,8H,2-3,6-7H2,1H3

InChIKey

SDZQUCJFTUULJX-UHFFFAOYSA-N

Compound name

hept-3-en-1-ol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 2
References: 905
Patents: 114.10446 Da
Monoisotopic Mass: 1.9
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	125.8
[M+Na]+	137.09368	132.6
[M-H]-	113.09718	124.6
[M+NH4]+	132.13828	148.1
[M+K]+	153.06762	131.1
[M+H-H2O]+	97.101720	121.7
[M+HCOO]-	159.10266	148.2
[M+CH3COO]-	173.11831	168.0
[M+Na-2H]-	135.07913	131.9
[M]+	114.10391	126.2
[M]-	114.10501	126.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.