CID 6950560

(1r,2r)-trans-1,2,3,4-tetrahydro-1,2-naphthalenediol

Structural Information

Molecular Formula
C10H12O2
SMILES
C1CC2=CC=CC=C2[C@H]([C@@H]1O)O
InChI
InChI=1S/C10H12O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-4,9-12H,5-6H2/t9-,10-/m1/s1
InChIKey
KMQJJAOZMONGLS-NXEZZACHSA-N
Compound name
(1R,2R)-1,2,3,4-tetrahydronaphthalene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

164.08372 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 132.2
[M+Na]+ 187.07294 139.6
[M-H]- 163.07644 134.1
[M+NH4]+ 182.11754 152.9
[M+K]+ 203.04688 136.4
[M+H-H2O]+ 147.08098 127.3
[M+HCOO]- 209.08192 150.9
[M+CH3COO]- 223.09757 173.6
[M+Na-2H]- 185.05839 139.0
[M]+ 164.08317 128.4
[M]- 164.08427 128.4
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