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

129
Patents

214.09938 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.10666 145.7
[M+Na]+ 237.08860 154.5
[M-H]- 213.09210 150.4
[M+NH4]+ 232.13320 165.8
[M+K]+ 253.06254 151.1
[M+H-H2O]+ 197.09664 139.3
[M+HCOO]- 259.09758 169.2
[M+CH3COO]- 273.11323 189.3
[M+Na-2H]- 235.07405 153.1
[M]+ 214.09883 149.1
[M]- 214.09993 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