CID 56842779

Decahydro-7-methyl-1,4-methanonaphthalen-6-ol

Structural Information

Molecular Formula
C12H20O
SMILES
CC1CC2C3CCC(C3)C2CC1O
InChI
InChI=1S/C12H20O/c1-7-4-10-8-2-3-9(5-8)11(10)6-12(7)13/h7-13H,2-6H2,1H3
InChIKey
RJNIZQGVDMOFKQ-UHFFFAOYSA-N
Compound name
5-methyltricyclo[6.2.1.02,7]undecan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.15141 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.158686 143.7
[M+Na]+ 203.140628 150.0
[M-H]- 179.144134 145.7
[M+NH4]+ 198.185233 169.6
[M+K]+ 219.114568 146.3
[M+H-H2O]+ 163.148670 140.1
[M+HCOO]- 225.149611 159.5
[M+CH3COO]- 239.165261 155.8
[M+Na-2H]- 201.126076 144.6
[M]+ 180.15086142 139.0
[M]- 180.15195858 139.0
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.