CID 656877

(1r,2s)-7-methyl-1,2-dihydronaphthalene-1,2-diol

Structural Information

Molecular Formula
C11H12O2
SMILES
CC1=CC2=C(C=C[C@@H]([C@@H]2O)O)C=C1
InChI
InChI=1S/C11H12O2/c1-7-2-3-8-4-5-10(12)11(13)9(8)6-7/h2-6,10-13H,1H3/t10-,11+/m0/s1
InChIKey
ISBMHLUJIIODOL-WDEREUQCSA-N
Compound name
(1R,2S)-7-methyl-1,2-dihydronaphthalene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.