CID 42608283

1-isopropyl-4-methyl-2-(3,7,11,15-tetramethyl-hexadecan-7-yl)-cyclohexane

Structural Information

Molecular Formula
C30H60
SMILES
CCC(C)CCCC(C)(CCCC(C)CCCC(C)C)C1CC(CCC1C(C)C)C
InChI
InChI=1S/C30H60/c1-10-25(6)16-12-20-30(9,21-13-17-26(7)15-11-14-23(2)3)29-22-27(8)18-19-28(29)24(4)5/h23-29H,10-22H2,1-9H3
InChIKey
CYGHPBQDCJXIPT-UHFFFAOYSA-N
Compound name
4-methyl-1-propan-2-yl-2-(3,7,11,15-tetramethylhexadecan-7-yl)cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.4695 Da
Monoisotopic Mass

13.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.47678 220.2
[M+Na]+ 443.45872 217.1
[M-H]- 419.46222 219.9
[M+NH4]+ 438.50332 230.8
[M+K]+ 459.43266 213.2
[M+H-H2O]+ 403.46676 212.9
[M+HCOO]- 465.46770 227.7
[M+CH3COO]- 479.48335 241.2
[M+Na-2H]- 441.44417 209.1
[M]+ 420.46895 221.3
[M]- 420.47005 221.3
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.