CID 13524333

4278-14-2

Structural Information

Molecular Formula
C13H13NO
SMILES
CCOC(=N)C1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C13H13NO/c1-2-15-13(14)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,14H,2H2,1H3
InChIKey
OCAQOWVZZDHCRV-UHFFFAOYSA-N
Compound name
ethyl naphthalene-2-carboximidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

199.09972 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.106996 142.4
[M+Na]+ 222.088938 149.7
[M-H]- 198.092444 147.0
[M+NH4]+ 217.133543 162.5
[M+K]+ 238.062878 146.4
[M+H-H2O]+ 182.096980 136.0
[M+HCOO]- 244.097921 166.1
[M+CH3COO]- 258.113571 188.1
[M+Na-2H]- 220.074386 150.3
[M]+ 199.09917142 142.2
[M]- 199.10026858 142.2
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