CID 56936180

4,8,12-trimethyloctacosane

Structural Information

Molecular Formula
C31H64
SMILES
CCCCCCCCCCCCCCCCC(C)CCCC(C)CCCC(C)CCC
InChI
InChI=1S/C31H64/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-24-30(4)26-22-28-31(5)27-21-25-29(3)23-7-2/h29-31H,6-28H2,1-5H3
InChIKey
MQARWVHIFSASCF-UHFFFAOYSA-N
Compound name
4,8,12-trimethyloctacosane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.5008 Da
Monoisotopic Mass

16.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.50808 233.5
[M+Na]+ 459.49002 229.8
[M-H]- 435.49352 229.2
[M+NH4]+ 454.53462 234.0
[M+K]+ 475.46396 224.3
[M+H-H2O]+ 419.49806 224.9
[M+HCOO]- 481.49900 237.4
[M+CH3COO]- 495.51465 243.9
[M+Na-2H]- 457.47547 223.3
[M]+ 436.50025 242.3
[M]- 436.50135 242.3
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.