CID 5352912

Tetradecylene

Structural Information

Molecular Formula

C₁₄H₂₈

SMILES

CCCCCCCCCCC/C=C/C

InChI

InChI=1S/C14H28/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3,5H,4,6-14H2,1-2H3/b5-3+

InChIKey

OBDUMNZXAIUUTH-HWKANZROSA-N

Compound name

(E)-tetradec-2-ene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 2637
Patents: 196.2191 Da
Monoisotopic Mass: 7.0
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]+	197.226376	153.8
[M+Na]+	219.208318	158.1
[M-H]-	195.211824	152.7
[M+NH4]+	214.252923	173.6
[M+K]+	235.182258	155.3
[M+H-H2O]+	179.216360	148.3
[M+HCOO]-	241.217301	175.2
[M+CH3COO]-	255.232951	190.1
[M+Na-2H]-	217.193766	156.7
[M]+	196.21855142	157.4
[M]-	196.21964858	157.4

Literature stripe

literature stripe

Patent stripe

patents stripe