CID 42608275

1-isopropyl-4-methyl-2-(2,6,10-trimethyl-dodecan-6-yl)-cyclohexane

Structural Information

Molecular Formula
C25H50
SMILES
CCC(C)CCCC(C)(CCCC(C)C)C1CC(CCC1C(C)C)C
InChI
InChI=1S/C25H50/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/h19-24H,9-18H2,1-8H3
InChIKey
FHBMTRKEZPTTIQ-UHFFFAOYSA-N
Compound name
4-methyl-1-propan-2-yl-2-(2,6,10-trimethyldodecan-6-yl)cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.39127 Da
Monoisotopic Mass

11.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.39855 198.7
[M+Na]+ 373.38049 197.9
[M-H]- 349.38399 199.4
[M+NH4]+ 368.42509 212.2
[M+K]+ 389.35443 194.7
[M+H-H2O]+ 333.38853 192.1
[M+HCOO]- 395.38947 208.9
[M+CH3COO]- 409.40512 225.8
[M+Na-2H]- 371.36594 191.3
[M]+ 350.39072 198.6
[M]- 350.39182 198.6
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.