CID 154734732

72905-86-3

Structural Information

Molecular Formula

C₂₅H₅₀

SMILES

CCCCCCCCCCCCCCCCCC(=C)CCC(C)CC

InChI

InChI=1S/C25H50/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(4)23-22-24(3)6-2/h24H,4-23H2,1-3H3

InChIKey

WMMUPFYUWBPXHY-UHFFFAOYSA-N

Compound name

3-methyl-6-methylidenetricosane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 0
Patents: 350.39127 Da
Monoisotopic Mass: 12.9
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]+	351.398546	204.6
[M+Na]+	373.380488	203.9
[M-H]-	349.383994	201.5
[M+NH4]+	368.425093	217.9
[M+K]+	389.354428	198.9
[M+H-H2O]+	333.388530	197.0
[M+HCOO]-	395.389471	220.3
[M+CH3COO]-	409.405121	225.0
[M+Na-2H]-	371.365936	199.0
[M]+	350.39072142	211.1
[M]-	350.39181858	211.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.