CID 543123

Hept-6-en-1-ol

Structural Information

Molecular Formula

C₇H₁₄O

SMILES

C=CCCCCCO

InChI

InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h2,8H,1,3-7H2

InChIKey

UFULDTPDHIRNGS-UHFFFAOYSA-N

Compound name

hept-6-en-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1426
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	125.5
[M+Na]+	137.09368	132.3
[M-H]-	113.09718	124.3
[M+NH4]+	132.13828	147.8
[M+K]+	153.06762	130.8
[M+H-H2O]+	97.101720	121.4
[M+HCOO]-	159.10266	148.0
[M+CH3COO]-	173.11831	168.6
[M+Na-2H]-	135.07913	131.7
[M]+	114.10391	126.1
[M]-	114.10501	126.1

Literature stripe

literature stripe

Patent stripe

patents stripe