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

4
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

literature stripe

Patent stripe

patents stripe