CID 15555192

Heptadecane, 5-methylene-

Structural Information

Molecular Formula

C₁₈H₃₆

SMILES

CCCCCCCCCCCCC(=C)CCCC

InChI

InChI=1S/C18H36/c1-4-6-8-9-10-11-12-13-14-15-17-18(3)16-7-5-2/h3-17H2,1-2H3

InChIKey

BMXMXVGOTFFUNV-UHFFFAOYSA-N

Compound name

5-methylideneheptadecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 252.28171 Da
Monoisotopic Mass: 9.4
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]+	253.28899	170.8
[M+Na]+	275.27093	179.7
[M+NH4]+	270.31553	177.9
[M+K]+	291.24487	170.6
[M-H]-	251.27443	170.6
[M+Na-2H]-	273.25638	172.4
[M]+	252.28116	171.9
[M]-	252.28226	171.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe