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]+ 349.38288 202.6
[M+Na]+ 371.36482 201.5
[M-H]- 347.36832 199.9
[M+NH4]+ 366.40942 215.7
[M+K]+ 387.33876 197.8
[M+H-H2O]+ 331.37286 195.9
[M+HCOO]- 393.37380 214.6
[M+CH3COO]- 407.38945 227.3
[M+Na-2H]- 369.35027 192.3
[M]+ 348.37505 205.8
[M]- 348.37615 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.