CID 12849241

(6,7-dimethoxynaphthalen-2-yl)methanamine

Structural Information

Molecular Formula
C13H15NO2
SMILES
COC1=C(C=C2C=C(C=CC2=C1)CN)OC
InChI
InChI=1S/C13H15NO2/c1-15-12-6-10-4-3-9(8-14)5-11(10)7-13(12)16-2/h3-7H,8,14H2,1-2H3
InChIKey
HNYHRIHEJAVBLI-UHFFFAOYSA-N
Compound name
(6,7-dimethoxynaphthalen-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

217.11028 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11756 146.8
[M+Na]+ 240.09950 155.8
[M-H]- 216.10300 151.4
[M+NH4]+ 235.14410 166.5
[M+K]+ 256.07344 152.9
[M+H-H2O]+ 200.10754 140.4
[M+HCOO]- 262.10848 170.8
[M+CH3COO]- 276.12413 192.6
[M+Na-2H]- 238.08495 153.4
[M]+ 217.10973 149.3
[M]- 217.11083 149.3
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