CID 5318017

Trans-2-hepten-1-ol

Structural Information

Molecular Formula

C₇H₁₄O

SMILES

CCCC/C=C/CO

InChI

InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h5-6,8H,2-4,7H2,1H3/b6-5+

InChIKey

ASFYPVGAALGVNR-AATRIKPKSA-N

Compound name

(E)-hept-2-en-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 1019
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]+	115.111736	125.8
[M+Na]+	137.093678	132.6
[M-H]-	113.097184	124.6
[M+NH4]+	132.138283	148.1
[M+K]+	153.067618	131.1
[M+H-H2O]+	97.101720	121.7
[M+HCOO]-	159.102661	148.2
[M+CH3COO]-	173.118311	168.0
[M+Na-2H]-	135.079126	131.9
[M]+	114.10391142	126.2
[M]-	114.10500858	126.2

Literature stripe

literature stripe

Patent stripe

patents stripe