CID 45108238

Cis-6,7-dihydroxy-5,6,7,8-tetrahydronaphthalen-1-yl acetate

Structural Information

Molecular Formula
C12H14O4
SMILES
CC(=O)OC1=CC=CC2=C1C[C@H]([C@H](C2)O)O
InChI
InChI=1S/C12H14O4/c1-7(13)16-12-4-2-3-8-5-10(14)11(15)6-9(8)12/h2-4,10-11,14-15H,5-6H2,1H3/t10-,11+/m0/s1
InChIKey
KJHALSUYGSKPQA-WDEREUQCSA-N
Compound name
[(6S,7R)-6,7-dihydroxy-5,6,7,8-tetrahydronaphthalen-1-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

222.0892 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.09648 146.8
[M+Na]+ 245.07842 158.1
[M+NH4]+ 240.12302 154.4
[M+K]+ 261.05236 153.3
[M-H]- 221.08192 147.6
[M+Na-2H]- 243.06387 150.4
[M]+ 222.08865 148.4
[M]- 222.08975 148.4
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.