CID 42608274

4-isopropyl-1-methyl-3-(2,6,10-trimethyl-dodecan-6-yl)-cyclohex-1-ene

Structural Information

Molecular Formula
C25H48
SMILES
CCC(C)CCCC(C)(CCCC(C)C)C1C=C(CCC1C(C)C)C
InChI
InChI=1S/C25H48/c1-9-21(6)13-11-17-25(8,16-10-12-19(2)3)24-18-22(7)14-15-23(24)20(4)5/h18-21,23-24H,9-17H2,1-8H3
InChIKey
BSFSYBSOZFHRHQ-UHFFFAOYSA-N
Compound name
1-methyl-4-propan-2-yl-3-(2,6,10-trimethyldodecan-6-yl)cyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.3756 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.38288 197.2
[M+Na]+ 371.36482 197.4
[M-H]- 347.36832 198.3
[M+NH4]+ 366.40942 210.9
[M+K]+ 387.33876 194.0
[M+H-H2O]+ 331.37286 190.5
[M+HCOO]- 393.37380 208.9
[M+CH3COO]- 407.38945 225.4
[M+Na-2H]- 369.35027 190.7
[M]+ 348.37505 198.5
[M]- 348.37615 198.5
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.