CID 112649

Einecs 264-152-1

Structural Information

Molecular Formula
C27H48
SMILES
CC1(CC(C2C1CCCC2)(C)C3CCCCC3)CC(C)(C)C4CCCCC4
InChI
InChI=1S/C27H48/c1-25(2,21-13-7-5-8-14-21)19-26(3)20-27(4,22-15-9-6-10-16-22)24-18-12-11-17-23(24)26/h21-24H,5-20H2,1-4H3
InChIKey
DXYKKANYEKMZIR-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-(2-cyclohexyl-2-methylpropyl)-1,3-dimethyl-3a,4,5,6,7,7a-hexahydro-2H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

372.3756 Da
Monoisotopic Mass

11.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.38288 202.8
[M+Na]+ 395.36482 200.5
[M-H]- 371.36832 208.9
[M+NH4]+ 390.40942 220.4
[M+K]+ 411.33876 194.9
[M+H-H2O]+ 355.37286 194.1
[M+HCOO]- 417.37380 208.3
[M+CH3COO]- 431.38945 219.7
[M+Na-2H]- 393.35027 197.2
[M]+ 372.37505 189.3
[M]- 372.37615 189.3
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

patents stripe