CID 11612

3-heptene

Structural Information

Molecular Formula

C₇H₁₄

SMILES

CCCC=CCC

InChI

InChI=1S/C7H14/c1-3-5-7-6-4-2/h5,7H,3-4,6H2,1-2H3

InChIKey

WZHKDGJSXCTSCK-UHFFFAOYSA-N

Compound name

hept-3-ene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 15826
Patents: 98.10955 Da
Monoisotopic Mass: 3.1
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]+	99.116826	121.7
[M+Na]+	121.09877	133.2
[M+NH4]+	116.14337	130.7
[M+K]+	137.07271	125.9
[M-H]-	97.102274	122.2
[M+Na-2H]-	119.08422	126.6
[M]+	98.109001	123.4
[M]-	98.110099	123.4

Literature stripe

literature stripe

Patent stripe

patents stripe