CID 9548021

Cis-1,2-dihydroxy-1,2,5,6,7,8-hexahydronaphthalene

Structural Information

Molecular Formula
C10H14O2
SMILES
C1CCC2=C(C1)C=C[C@@H]([C@@H]2O)O
InChI
InChI=1S/C10H14O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h5-6,9-12H,1-4H2/t9-,10+/m0/s1
InChIKey
SJTWZMBCBWJGRE-VHSXEESVSA-N
Compound name
(1R,2S)-1,2,5,6,7,8-hexahydronaphthalene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

166.09938 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.10666 134.0
[M+Na]+ 189.08860 140.3
[M-H]- 165.09210 135.5
[M+NH4]+ 184.13320 154.5
[M+K]+ 205.06254 137.3
[M+H-H2O]+ 149.09664 129.1
[M+HCOO]- 211.09758 151.2
[M+CH3COO]- 225.11323 174.0
[M+Na-2H]- 187.07405 139.7
[M]+ 166.09883 128.7
[M]- 166.09993 128.7
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

No patent data available for this compound.