CID 20149

N-tetracontane

Structural Information

Molecular Formula
C40H82
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C40H82/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3
InChIKey
KUPLEGDPSCCPJI-UHFFFAOYSA-N
Compound name
tetracontane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

1718
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 268.1
[M+Na]+ 585.63088 272.6
[M-H]- 561.63438 243.1
[M+NH4]+ 580.67548 262.9
[M+K]+ 601.60482 275.6
[M+H-H2O]+ 545.63892 266.0
[M+HCOO]- 607.63986 274.9
[M+CH3COO]- 621.65551 267.4
[M+Na-2H]- 583.61633 249.4
[M]+ 562.64111 268.9
[M]- 562.64221 268.9
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