CID 32149

2-amino-5,6-dimethoxynaphthalene

Structural Information

Molecular Formula
C12H13NO2
SMILES
COC1=C(C2=C(C=C1)C(=CC=C2)N)OC
InChI
InChI=1S/C12H13NO2/c1-14-11-7-6-8-9(12(11)15-2)4-3-5-10(8)13/h3-7H,13H2,1-2H3
InChIKey
OXDJLMVTXLXCHL-UHFFFAOYSA-N
Compound name
5,6-dimethoxynaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.09464 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.10192 142.1
[M+Na]+ 226.08386 151.5
[M-H]- 202.08736 146.9
[M+NH4]+ 221.12846 162.4
[M+K]+ 242.05780 148.9
[M+H-H2O]+ 186.09190 135.9
[M+HCOO]- 248.09284 166.4
[M+CH3COO]- 262.10849 189.5
[M+Na-2H]- 224.06931 149.2
[M]+ 203.09409 144.2
[M]- 203.09519 144.2
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