CID 12067128

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

Structural Information

Molecular Formula
C25H48
SMILES
CC(C)CCCC(C)CCC(CCC(C)C=C)C(=C)CCCC(C)C
InChI
InChI=1S/C25H48/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/h9,20-23,25H,1,8,10-19H2,2-7H3
InChIKey
RNCKFEUHFHLLAW-UHFFFAOYSA-N
Compound name
2,10,14-trimethyl-6-methylidene-7-(3-methylpent-4-enyl)pentadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.3756 Da
Monoisotopic Mass

11.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.382876 202.6
[M+Na]+ 371.364818 201.5
[M-H]- 347.368324 199.9
[M+NH4]+ 366.409423 215.7
[M+K]+ 387.338758 197.8
[M+H-H2O]+ 331.372860 195.9
[M+HCOO]- 393.373801 214.6
[M+CH3COO]- 407.389451 227.3
[M+Na-2H]- 369.350266 192.3
[M]+ 348.37505142 205.8
[M]- 348.37614858 205.8
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.