CID 14139292

2,6,10,14,18-pentamethyl-7-(3-methyl-pentyl)-nonadecane

Structural Information

Molecular Formula
C30H62
SMILES
CCC(C)CCC(CCC(C)CCCC(C)CCCC(C)C)C(C)CCCC(C)C
InChI
InChI=1S/C30H62/c1-10-26(6)20-22-30(29(9)19-12-15-25(4)5)23-21-28(8)18-13-17-27(7)16-11-14-24(2)3/h24-30H,10-23H2,1-9H3
InChIKey
ZYUQNRLZGGWDML-UHFFFAOYSA-N
Compound name
2,6,10,14,18-pentamethyl-7-(3-methylpentyl)nonadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

422.48514 Da
Monoisotopic Mass

14.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.492416 228.8
[M+Na]+ 445.474358 224.9
[M-H]- 421.477864 225.1
[M+NH4]+ 440.518963 232.3
[M+K]+ 461.448298 221.7
[M+H-H2O]+ 405.482400 221.2
[M+HCOO]- 467.483341 220.7
[M+CH3COO]- 481.498991 244.1
[M+Na-2H]- 443.459806 214.5
[M]+ 422.48459142 234.7
[M]- 422.48568858 234.7
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