CID 56936164

17,21-dimethylhentetracontane

Structural Information

Molecular Formula
C43H88
SMILES
CCCCCCCCCCCCCCCCCCCCC(C)CCCC(C)CCCCCCCCCCCCCCCC
InChI
InChI=1S/C43H88/c1-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-39-43(4)41-37-40-42(3)38-35-33-31-29-27-25-20-18-16-14-12-10-8-6-2/h42-43H,5-41H2,1-4H3
InChIKey
IFNVTLAYDUJJMW-UHFFFAOYSA-N
Compound name
17,21-dimethylhentetracontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

604.6886 Da
Monoisotopic Mass

22.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 605.69588 276.5
[M+Na]+ 627.67782 281.6
[M-H]- 603.68132 253.6
[M+NH4]+ 622.72242 274.5
[M+K]+ 643.65176 286.8
[M+H-H2O]+ 587.68586 275.3
[M+HCOO]- 649.68680 277.6
[M+CH3COO]- 663.70245 276.8
[M+Na-2H]- 625.66327 257.9
[M]+ 604.68805 277.1
[M]- 604.68915 277.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.