CID 46449

1-naphthylamine, 1,2,3,4-tetrahydro-5,8-dimethoxy-, hydrochloride, hemihydrate

Structural Information

Molecular Formula
C12H17NO2
SMILES
COC1=C2CCCC(C2=C(C=C1)OC)N
InChI
InChI=1S/C12H17NO2/c1-14-10-6-7-11(15-2)12-8(10)4-3-5-9(12)13/h6-7,9H,3-5,13H2,1-2H3
InChIKey
BFKGQFXJSRWVQK-UHFFFAOYSA-N
Compound name
5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

207.12593 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.133206 144.8
[M+Na]+ 230.115148 152.2
[M-H]- 206.118654 148.9
[M+NH4]+ 225.159753 164.8
[M+K]+ 246.089088 149.9
[M+H-H2O]+ 190.123190 138.7
[M+HCOO]- 252.124131 166.2
[M+CH3COO]- 266.139781 190.2
[M+Na-2H]- 228.100596 150.0
[M]+ 207.12538142 144.1
[M]- 207.12647858 144.1
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

patents stripe