CID 37033

1,2-naphthalenediol, 5,6,7,8-tetrahydro-6-dimethylamino-, hydrobromide

Structural Information

Molecular Formula
C12H17NO2
SMILES
CN(C)C1CCC2=C(C1)C=CC(=C2O)O
InChI
InChI=1S/C12H17NO2/c1-13(2)9-4-5-10-8(7-9)3-6-11(14)12(10)15/h3,6,9,14-15H,4-5,7H2,1-2H3
InChIKey
LSHRDKPBUUXBAF-UHFFFAOYSA-N
Compound name
6-(dimethylamino)-5,6,7,8-tetrahydronaphthalene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

27
References

27
Patents

207.12593 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.133206 144.8
[M+Na]+ 230.115148 151.5
[M-H]- 206.118654 148.1
[M+NH4]+ 225.159753 164.3
[M+K]+ 246.089088 149.2
[M+H-H2O]+ 190.123190 139.1
[M+HCOO]- 252.124131 164.3
[M+CH3COO]- 266.139781 189.3
[M+Na-2H]- 228.100596 149.4
[M]+ 207.12538142 142.6
[M]- 207.12647858 142.6
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