CID 44702

7,8-naphthalenediol, 1-(methylamino)-1,2,3,4-tetrahydro-, hydroiodide

Structural Information

Molecular Formula
C11H15NO2
SMILES
CNC1CCCC2=C1C(=C(C=C2)O)O
InChI
InChI=1S/C11H15NO2/c1-12-8-4-2-3-7-5-6-9(13)11(14)10(7)8/h5-6,8,12-14H,2-4H2,1H3
InChIKey
UGARAERZSCYWGH-UHFFFAOYSA-N
Compound name
8-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.11028 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 140.6
[M+Na]+ 216.09950 152.2
[M+NH4]+ 211.14410 149.4
[M+K]+ 232.07344 146.1
[M-H]- 192.10300 143.2
[M+Na-2H]- 214.08495 145.6
[M]+ 193.10973 142.8
[M]- 193.11083 142.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.