CID 2060568

2-propoxynaphthalene-1-carbaldehyde

Structural Information

Molecular Formula
C14H14O2
SMILES
CCCOC1=C(C2=CC=CC=C2C=C1)C=O
InChI
InChI=1S/C14H14O2/c1-2-9-16-14-8-7-11-5-3-4-6-12(11)13(14)10-15/h3-8,10H,2,9H2,1H3
InChIKey
VQEKSPXFVANRGG-UHFFFAOYSA-N
Compound name
2-propoxynaphthalene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

214.09938 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.106656 145.7
[M+Na]+ 237.088598 154.5
[M-H]- 213.092104 150.4
[M+NH4]+ 232.133203 165.8
[M+K]+ 253.062538 151.1
[M+H-H2O]+ 197.096640 139.3
[M+HCOO]- 259.097581 169.2
[M+CH3COO]- 273.113231 189.3
[M+Na-2H]- 235.074046 153.1
[M]+ 214.09883142 149.1
[M]- 214.09992858 149.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe