CID 56936162

15-methylhentetracontane

Structural Information

Molecular Formula
C42H86
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CCCCCCCCCCCCCC
InChI
InChI=1S/C42H86/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-42(3)40-38-36-34-32-30-17-15-13-11-9-7-5-2/h42H,4-41H2,1-3H3
InChIKey
ZSPSASVLIIVKBU-UHFFFAOYSA-N
Compound name
15-methylhentetracontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

590.673 Da
Monoisotopic Mass

22.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.68028 274.1
[M+Na]+ 613.66222 278.8
[M-H]- 589.66572 249.9
[M+NH4]+ 608.70682 270.4
[M+K]+ 629.63616 283.1
[M+H-H2O]+ 573.67026 272.4
[M+HCOO]- 635.67120 277.9
[M+CH3COO]- 649.68685 273.5
[M+Na-2H]- 611.64767 255.2
[M]+ 590.67245 274.7
[M]- 590.67355 274.7
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