CID 67040

2-ethoxynaphthalen-1-amine

Structural Information

Molecular Formula
C12H13NO
SMILES
CCOC1=C(C2=CC=CC=C2C=C1)N
InChI
InChI=1S/C12H13NO/c1-2-14-11-8-7-9-5-3-4-6-10(9)12(11)13/h3-8H,2,13H2,1H3
InChIKey
TUOWYJFPLMIKCX-UHFFFAOYSA-N
Compound name
2-ethoxynaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

260
Patents

187.09972 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.106996 138.8
[M+Na]+ 210.088938 147.5
[M-H]- 186.092444 143.3
[M+NH4]+ 205.133543 159.6
[M+K]+ 226.062878 144.2
[M+H-H2O]+ 170.096980 132.7
[M+HCOO]- 232.097921 163.0
[M+CH3COO]- 246.113571 186.3
[M+Na-2H]- 208.074386 146.7
[M]+ 187.09917142 139.1
[M]- 187.10026858 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