CID 56842839

Decahydro-6-methyl-1,4-methanonaphthalene-6,7-diol

Structural Information

Molecular Formula
C12H20O2
SMILES
CC1(CC2C3CCC(C3)C2CC1O)O
InChI
InChI=1S/C12H20O2/c1-12(14)6-10-8-3-2-7(4-8)9(10)5-11(12)13/h7-11,13-14H,2-6H2,1H3
InChIKey
DEBPKBTUBBZEPB-UHFFFAOYSA-N
Compound name
4-methyltricyclo[6.2.1.02,7]undecane-4,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

196.14633 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.153606 147.2
[M+Na]+ 219.135548 154.1
[M-H]- 195.139054 148.1
[M+NH4]+ 214.180153 173.7
[M+K]+ 235.109488 149.9
[M+H-H2O]+ 179.143590 144.3
[M+HCOO]- 241.144531 161.6
[M+CH3COO]- 255.160181 158.9
[M+Na-2H]- 217.120996 149.1
[M]+ 196.14578142 142.6
[M]- 196.14687858 142.6
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

patents stripe