CID 656877

127926-10-7

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

2
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 135.2
[M+Na]+ 199.07294 149.1
[M+NH4]+ 194.11754 144.7
[M+K]+ 215.04688 142.4
[M-H]- 175.07644 137.8
[M+Na-2H]- 197.05839 141.5
[M]+ 176.08317 137.9
[M]- 176.08427 137.9
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