CID 23494

Tetratetracontane

Structural Information

Molecular Formula
C44H90
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C44H90/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-44H2,1-2H3
InChIKey
KMXFZRSJMDYPPG-UHFFFAOYSA-N
Compound name
tetratetracontane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

1270
Patents

618.7042 Da
Monoisotopic Mass

23.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 619.71148 281.6
[M+Na]+ 641.69342 285.4
[M-H]- 617.69692 255.1
[M+NH4]+ 636.73802 276.2
[M+K]+ 657.66736 290.0
[M+H-H2O]+ 601.70146 279.0
[M+HCOO]- 663.70240 286.9
[M+CH3COO]- 677.71805 278.4
[M+Na-2H]- 639.67887 261.2
[M]+ 618.70365 282.0
[M]- 618.70475 282.0
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