CID 44119485

2-amino-6-ethoxynaphthalene

Structural Information

Molecular Formula
C12H13NO
SMILES
CCOC1=CC2=C(C=C1)C=C(C=C2)N
InChI
InChI=1S/C12H13NO/c1-2-14-12-6-4-9-7-11(13)5-3-10(9)8-12/h3-8H,2,13H2,1H3
InChIKey
QZQNQRWVSFPEGY-UHFFFAOYSA-N
Compound name
6-ethoxynaphthalen-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

21
Patents

187.09972 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.10700 138.8
[M+Na]+ 210.08894 147.5
[M-H]- 186.09244 143.3
[M+NH4]+ 205.13354 159.6
[M+K]+ 226.06288 144.2
[M+H-H2O]+ 170.09698 132.7
[M+HCOO]- 232.09792 163.0
[M+CH3COO]- 246.11357 186.3
[M+Na-2H]- 208.07439 146.7
[M]+ 187.09917 139.1
[M]- 187.10027 139.1
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