CID 38005

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

Structural Information

Molecular Formula
C11H15NO2
SMILES
CNC1CCC2=C(C1)C=CC(=C2O)O
InChI
InChI=1S/C11H15NO2/c1-12-8-3-4-9-7(6-8)2-5-10(13)11(9)14/h2,5,8,12-14H,3-4,6H2,1H3
InChIKey
BHDFPNRSDABMPW-UHFFFAOYSA-N
Compound name
6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

77
Patents

193.11028 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.117556 140.3
[M+Na]+ 216.099498 147.2
[M-H]- 192.103004 142.2
[M+NH4]+ 211.144103 159.6
[M+K]+ 232.073438 143.8
[M+H-H2O]+ 176.107540 134.9
[M+HCOO]- 238.108481 159.6
[M+CH3COO]- 252.124131 182.9
[M+Na-2H]- 214.084946 146.1
[M]+ 193.10973142 136.5
[M]- 193.11082858 136.5
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