CID 440294

(1r, 2s)-cis 1,2 dihydroxy-1,2-dihydronaphthalene

Structural Information

Molecular Formula
C10H10O2
SMILES
C1=CC=C2[C@H]([C@H](C=CC2=C1)O)O
InChI
InChI=1S/C10H10O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,9-12H/t9-,10+/m0/s1
InChIKey
QPUHWUSUBHNZCG-VHSXEESVSA-N
Compound name
(1R,2S)-1,2-dihydronaphthalene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

51
References

525
Patents

162.06808 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.07536 130.6
[M+Na]+ 185.05730 139.0
[M-H]- 161.06080 132.9
[M+NH4]+ 180.10190 151.4
[M+K]+ 201.03124 135.6
[M+H-H2O]+ 145.06534 125.6
[M+HCOO]- 207.06628 150.8
[M+CH3COO]- 221.08193 173.2
[M+Na-2H]- 183.04275 138.3
[M]+ 162.06753 128.2
[M]- 162.06863 128.2
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.