CID 9548022

5,6,7,8-tetrahydronaphthalene-1,2-diol

Structural Information

Molecular Formula
C10H12O2
SMILES
C1CCC2=C(C1)C=CC(=C2O)O
InChI
InChI=1S/C10H12O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h5-6,11-12H,1-4H2
InChIKey
CNOYQLOSBYLHEK-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydronaphthalene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

23
Patents

164.08372 Da
Monoisotopic Mass

2.6
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