CID 6430371

11,19,23-trimethylheptatriacontane

Structural Information

Molecular Formula
C40H82
SMILES
CCCCCCCCCCCCCCC(C)CCCC(C)CCCCCCCC(C)CCCCCCCCCC
InChI
InChI=1S/C40H82/c1-6-8-10-12-14-16-17-18-19-21-24-28-34-39(4)36-31-37-40(5)35-30-26-22-25-29-33-38(3)32-27-23-20-15-13-11-9-7-2/h38-40H,6-37H2,1-5H3
InChIKey
XFBXDFLXACOLRR-UHFFFAOYSA-N
Compound name
11,19,23-trimethylheptatriacontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

562.64166 Da
Monoisotopic Mass

21.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.64894 265.4
[M+Na]+ 585.63088 271.6
[M-H]- 561.63438 245.3
[M+NH4]+ 580.67548 265.1
[M+K]+ 601.60482 276.0
[M+H-H2O]+ 545.63892 265.2
[M+HCOO]- 607.63986 265.3
[M+CH3COO]- 621.65551 269.2
[M+Na-2H]- 583.61633 248.8
[M]+ 562.64111 266.4
[M]- 562.64221 266.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.