CID 30657

21489-50-9

Structural Information

Molecular Formula
C12H17NO2
SMILES
COC1=C(C2=C(CC(CC2)N)C=C1)OC
InChI
InChI=1S/C12H17NO2/c1-14-11-6-3-8-7-9(13)4-5-10(8)12(11)15-2/h3,6,9H,4-5,7,13H2,1-2H3
InChIKey
BDHOUGWYKHSPIX-UHFFFAOYSA-N
Compound name
5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

207.12593 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 144.8
[M+Na]+ 230.11515 152.2
[M-H]- 206.11865 148.9
[M+NH4]+ 225.15975 164.8
[M+K]+ 246.08909 149.9
[M+H-H2O]+ 190.12319 138.7
[M+HCOO]- 252.12413 166.2
[M+CH3COO]- 266.13978 190.2
[M+Na-2H]- 228.10060 150.0
[M]+ 207.12538 144.1
[M]- 207.12648 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

literature stripe

Patent stripe

patents stripe