CID 6430417

3,7,15-trimethylnonacosane

Structural Information

Molecular Formula
C32H66
SMILES
CCCCCCCCCCCCCCC(C)CCCCCCCC(C)CCCC(C)CC
InChI
InChI=1S/C32H66/c1-6-8-9-10-11-12-13-14-15-16-18-21-25-31(4)26-22-19-17-20-23-27-32(5)29-24-28-30(3)7-2/h30-32H,6-29H2,1-5H3
InChIKey
RJURMRMDZRHDHO-UHFFFAOYSA-N
Compound name
3,7,15-trimethylnonacosane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.51645 Da
Monoisotopic Mass

16.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.52373 237.8
[M+Na]+ 473.50567 233.7
[M-H]- 449.50917 233.3
[M+NH4]+ 468.55027 237.5
[M+K]+ 489.47961 227.9
[M+H-H2O]+ 433.51371 229.0
[M+HCOO]- 495.51465 240.6
[M+CH3COO]- 509.53030 246.8
[M+Na-2H]- 471.49112 227.1
[M]+ 450.51590 247.0
[M]- 450.51700 247.0
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.