CID 656878

Cis-1,2-dihydroxy-1,2-dihydro-7-hydroxymethylnaphthalene

Structural Information

Molecular Formula
C11H12O3
SMILES
C1=CC2=C(C=C(C=C2)CO)[C@H]([C@H]1O)O
InChI
InChI=1S/C11H12O3/c12-6-7-1-2-8-3-4-10(13)11(14)9(8)5-7/h1-5,10-14H,6H2/t10-,11+/m0/s1
InChIKey
DJXXYNWCWKWVDK-WDEREUQCSA-N
Compound name
(1R,2S)-7-(hydroxymethyl)-1,2-dihydronaphthalene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

192.07864 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 138.7
[M+Na]+ 215.06786 147.1
[M-H]- 191.07136 139.7
[M+NH4]+ 210.11246 157.8
[M+K]+ 231.04180 143.2
[M+H-H2O]+ 175.07590 133.8
[M+HCOO]- 237.07684 157.2
[M+CH3COO]- 251.09249 177.2
[M+Na-2H]- 213.05331 144.7
[M]+ 192.07809 136.7
[M]- 192.07919 136.7
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.