CID 81613

Hentetracontane

Structural Information

Molecular Formula
C41H84
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C41H84/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-41H2,1-2H3
InChIKey
IMQDQLFUWRBGGN-UHFFFAOYSA-N
Compound name
hentetracontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

213
Patents

576.6573 Da
Monoisotopic Mass

21.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.66458 271.5
[M+Na]+ 599.64652 275.9
[M-H]- 575.65002 246.1
[M+NH4]+ 594.69112 266.2
[M+K]+ 615.62046 279.2
[M+H-H2O]+ 559.65456 269.3
[M+HCOO]- 621.65550 277.9
[M+CH3COO]- 635.67115 270.2
[M+Na-2H]- 597.63197 252.4
[M]+ 576.65675 272.2
[M]- 576.65785 272.2
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