CID 44145234

Octahydrodimethyl-4,7-methano-1h-indenol

Structural Information

Molecular Formula
C12H20O
SMILES
CC1CC2C3CCC(C3)C2C1(C)O
InChI
InChI=1S/C12H20O/c1-7-5-10-8-3-4-9(6-8)11(10)12(7,2)13/h7-11,13H,3-6H2,1-2H3
InChIKey
LZVLXBZBYFFUDV-UHFFFAOYSA-N
Compound name
3,4-dimethyltricyclo[5.2.1.02,6]decan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.15141 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.158686 146.2
[M+Na]+ 203.140628 154.4
[M-H]- 179.144134 149.0
[M+NH4]+ 198.185233 175.8
[M+K]+ 219.114568 150.7
[M+H-H2O]+ 163.148670 143.9
[M+HCOO]- 225.149611 164.2
[M+CH3COO]- 239.165261 159.3
[M+Na-2H]- 201.126076 146.8
[M]+ 180.15086142 144.1
[M]- 180.15195858 144.1
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.