CID 6430403

15,19-dimethyloctatriacontane

Structural Information

Molecular Formula
C40H82
SMILES
CCCCCCCCCCCCCCCCCCCC(C)CCCC(C)CCCCCCCCCCCCCC
InChI
InChI=1S/C40H82/c1-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-36-40(4)38-34-37-39(3)35-32-30-28-26-24-18-16-14-12-10-8-6-2/h39-40H,5-38H2,1-4H3
InChIKey
LIXMSWVQBSALGU-UHFFFAOYSA-N
Compound name
15,19-dimethyloctatriacontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

562.64166 Da
Monoisotopic Mass

21.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.64894 266.4
[M+Na]+ 585.63088 272.0
[M-H]- 561.63438 244.7
[M+NH4]+ 580.67548 264.4
[M+K]+ 601.60482 276.0
[M+H-H2O]+ 545.63892 265.6
[M+HCOO]- 607.63986 268.6
[M+CH3COO]- 621.65551 268.6
[M+Na-2H]- 583.61633 249.1
[M]+ 562.64111 267.3
[M]- 562.64221 267.3
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.