CID 23617593

Schembl8425014

Structural Information

Molecular Formula

C₁₉H₄₀

SMILES

CCCCCC(C)(C)CCCC(C)CCCC(C)C

InChI

InChI=1S/C19H40/c1-7-8-9-15-19(5,6)16-11-14-18(4)13-10-12-17(2)3/h17-18H,7-16H2,1-6H3

InChIKey

MTFZMVUYAILXSB-UHFFFAOYSA-N

Compound name

2,6,10,10-tetramethylpentadecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 268.313 Da
Monoisotopic Mass: 9.5
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]+	269.320276	178.2
[M+Na]+	291.302218	180.2
[M-H]-	267.305724	176.7
[M+NH4]+	286.346823	195.2
[M+K]+	307.276158	177.9
[M+H-H2O]+	251.310260	172.5
[M+HCOO]-	313.311201	194.2
[M+CH3COO]-	327.326851	208.6
[M+Na-2H]-	289.287666	176.6
[M]+	268.31245142	182.7
[M]-	268.31354858	182.7

Literature stripe

literature stripe

Patent stripe

patents stripe