CID 6430365

11,15,19-trimethyl-heptatriacontane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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

literature stripe

Patent stripe

patents stripe