CID 656868

Cis-1,2-dihydroxy-1,2-dihydro-8-methylnaphthalene

Structural Information

Molecular Formula
C11H12O2
SMILES
CC1=C2[C@H]([C@H](C=CC2=CC=C1)O)O
InChI
InChI=1S/C11H12O2/c1-7-3-2-4-8-5-6-9(12)11(13)10(7)8/h2-6,9,11-13H,1H3/t9-,11-/m0/s1
InChIKey
DHOOIOZYXOGWHB-ONGXEEELSA-N
Compound name
(1R,2S)-8-methyl-1,2-dihydronaphthalene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

176.08372 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.09100 135.0
[M+Na]+ 199.07294 143.9
[M-H]- 175.07644 137.5
[M+NH4]+ 194.11754 155.6
[M+K]+ 215.04688 140.3
[M+H-H2O]+ 159.08098 130.1
[M+HCOO]- 221.08192 154.8
[M+CH3COO]- 235.09757 177.5
[M+Na-2H]- 197.05839 141.5
[M]+ 176.08317 133.4
[M]- 176.08427 133.4
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