CID 179444

4-methylhexadecane

Structural Information

Molecular Formula

C₁₇H₃₆

SMILES

CCCCCCCCCCCCC(C)CCC

InChI

InChI=1S/C17H36/c1-4-6-7-8-9-10-11-12-13-14-16-17(3)15-5-2/h17H,4-16H2,1-3H3

InChIKey

OREPYGSHKSWUCK-UHFFFAOYSA-N

Compound name

4-methylhexadecane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 110
Patents: 240.28171 Da
Monoisotopic Mass: 9.1
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]+	241.28899	169.8
[M+Na]+	263.27093	172.2
[M-H]-	239.27443	168.1
[M+NH4]+	258.31553	187.8
[M+K]+	279.24487	169.6
[M+H-H2O]+	223.27897	163.6
[M+HCOO]-	285.27991	188.9
[M+CH3COO]-	299.29556	201.5
[M+Na-2H]-	261.25638	169.7
[M]+	240.28116	174.6
[M]-	240.28226	174.6

Literature stripe

literature stripe

Patent stripe

patents stripe