CID 11052667

139525-77-2

Structural Information

Molecular Formula
C13H15NO
SMILES
COC1=CC2=C(C=CC=C2CCN)C=C1
InChI
InChI=1S/C13H15NO/c1-15-12-6-5-10-3-2-4-11(7-8-14)13(10)9-12/h2-6,9H,7-8,14H2,1H3
InChIKey
YXDUMIVUPSVYLB-UHFFFAOYSA-N
Compound name
2-(7-methoxynaphthalen-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

220
Patents

201.11537 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.12265 143.7
[M+Na]+ 224.10459 157.6
[M+NH4]+ 219.14919 153.4
[M+K]+ 240.07853 149.5
[M-H]- 200.10809 147.9
[M+Na-2H]- 222.09004 151.4
[M]+ 201.11482 146.9
[M]- 201.11592 146.9
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