CID 6430046

11,15-dimethylheptacosane

Structural Information

Molecular Formula
C29H60
SMILES
CCCCCCCCCCCCC(C)CCCC(C)CCCCCCCCCC
InChI
InChI=1S/C29H60/c1-5-7-9-11-13-15-16-18-20-22-25-29(4)27-23-26-28(3)24-21-19-17-14-12-10-8-6-2/h28-29H,5-27H2,1-4H3
InChIKey
BBURCSMCPAGRGJ-UHFFFAOYSA-N
Compound name
11,15-dimethylheptacosane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

408.4695 Da
Monoisotopic Mass

15.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.47678 224.1
[M+Na]+ 431.45872 221.3
[M-H]- 407.46222 220.0
[M+NH4]+ 426.50332 235.1
[M+K]+ 447.43266 215.9
[M+H-H2O]+ 391.46676 215.6
[M+HCOO]- 453.46770 238.1
[M+CH3COO]- 467.48335 237.5
[M+Na-2H]- 429.44417 216.2
[M]+ 408.46895 232.7
[M]- 408.47005 232.7
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