CID 42608273

2,6,10,14-tetramethyl-7-(3-methyl-pent-4-enyl)-pentadecane

Structural Information

Molecular Formula
C25H50
SMILES
CC(C)CCCC(C)CCC(CCC(C)C=C)C(C)CCCC(C)C
InChI
InChI=1S/C25H50/c1-9-22(6)16-18-25(24(8)15-11-13-21(4)5)19-17-23(7)14-10-12-20(2)3/h9,20-25H,1,10-19H2,2-8H3
InChIKey
BZFIQKGXWZTFQC-UHFFFAOYSA-N
Compound name
2,6,10,14-tetramethyl-7-(3-methylpent-4-enyl)pentadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.39127 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.39855 204.6
[M+Na]+ 373.38049 203.3
[M-H]- 349.38399 202.0
[M+NH4]+ 368.42509 217.8
[M+K]+ 389.35443 200.2
[M+H-H2O]+ 333.38853 197.8
[M+HCOO]- 395.38947 216.4
[M+CH3COO]- 409.40512 228.2
[M+Na-2H]- 371.36594 194.2
[M]+ 350.39072 208.6
[M]- 350.39182 208.6
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.