CID 88099

2-ethoxynaphthalene-1-carbaldehyde

Structural Information

Molecular Formula
C13H12O2
SMILES
CCOC1=C(C2=CC=CC=C2C=C1)C=O
InChI
InChI=1S/C13H12O2/c1-2-15-13-8-7-10-5-3-4-6-11(10)12(13)9-14/h3-9H,2H2,1H3
InChIKey
IMNKQTWVJHODOS-UHFFFAOYSA-N
Compound name
2-ethoxynaphthalene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

371
Patents

200.08372 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.09100 140.9
[M+Na]+ 223.07294 150.2
[M-H]- 199.07644 145.8
[M+NH4]+ 218.11754 161.6
[M+K]+ 239.04688 147.0
[M+H-H2O]+ 183.08098 134.7
[M+HCOO]- 245.08192 164.7
[M+CH3COO]- 259.09757 186.3
[M+Na-2H]- 221.05839 148.9
[M]+ 200.08317 144.0
[M]- 200.08427 144.0
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