CID 6430425

4,10-dimethyltriacontane

Structural Information

Molecular Formula
C32H66
SMILES
CCCCCCCCCCCCCCCCCCCCC(C)CCCCCC(C)CCC
InChI
InChI=1S/C32H66/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-29-32(4)30-26-23-25-28-31(3)27-6-2/h31-32H,5-30H2,1-4H3
InChIKey
NIPDQYCBQMWKIJ-UHFFFAOYSA-N
Compound name
4,10-dimethyltriacontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.51645 Da
Monoisotopic Mass

17.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.52373 237.0
[M+Na]+ 473.50567 233.0
[M-H]- 449.50917 232.3
[M+NH4]+ 468.55027 236.8
[M+K]+ 489.47961 226.7
[M+H-H2O]+ 433.51371 228.0
[M+HCOO]- 495.51465 243.8
[M+CH3COO]- 509.53030 246.1
[M+Na-2H]- 471.49112 227.5
[M]+ 450.51590 246.8
[M]- 450.51700 246.8
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

No patent data available for this compound.