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]+ 218.117556 146.8
[M+Na]+ 240.099498 155.8
[M-H]- 216.103004 151.4
[M+NH4]+ 235.144103 166.5
[M+K]+ 256.073438 152.9
[M+H-H2O]+ 200.107540 140.4
[M+HCOO]- 262.108481 170.8
[M+CH3COO]- 276.124131 192.6
[M+Na-2H]- 238.084946 153.4
[M]+ 217.10973142 149.3
[M]- 217.11082858 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