CID 25076636

2-methyl-4-(octahydro-4,7-dimethyl-1h-inden-5-yl)cyclohexan-1-ol

Structural Information

Molecular Formula
C18H32O
SMILES
CC1CC(CCC1O)C2CC(C3CCCC3C2C)C
InChI
InChI=1S/C18H32O/c1-11-10-17(13(3)16-6-4-5-15(11)16)14-7-8-18(19)12(2)9-14/h11-19H,4-10H2,1-3H3
InChIKey
ZODCEMZFCDXFQH-UHFFFAOYSA-N
Compound name
4-(4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-2-methylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.24533 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.25261 168.8
[M+Na]+ 287.23455 172.0
[M-H]- 263.23805 173.4
[M+NH4]+ 282.27915 188.0
[M+K]+ 303.20849 167.5
[M+H-H2O]+ 247.24259 162.9
[M+HCOO]- 309.24353 180.8
[M+CH3COO]- 323.25918 199.4
[M+Na-2H]- 285.22000 164.2
[M]+ 264.24478 160.1
[M]- 264.24588 160.1
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.