CID 123244

Dotetracontane

Structural Information

Molecular Formula
C42H86
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C42H86/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-42H2,1-2H3
InChIKey
FTJPDYTXORWVLU-UHFFFAOYSA-N
Compound name
dotetracontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

235
Patents

590.673 Da
Monoisotopic Mass

22.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.68028 274.9
[M+Na]+ 613.66222 279.1
[M-H]- 589.66572 249.1
[M+NH4]+ 608.70682 269.6
[M+K]+ 629.63616 282.8
[M+H-H2O]+ 573.67026 272.6
[M+HCOO]- 635.67120 280.9
[M+CH3COO]- 649.68685 272.9
[M+Na-2H]- 611.64767 255.4
[M]+ 590.67245 275.5
[M]- 590.67355 275.5
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