CID 16228431

7-propoxy-2h-chromene-3-carbaldehyde

Structural Information

Molecular Formula
C13H14O3
SMILES
CCCOC1=CC2=C(C=C1)C=C(CO2)C=O
InChI
InChI=1S/C13H14O3/c1-2-5-15-12-4-3-11-6-10(8-14)9-16-13(11)7-12/h3-4,6-8H,2,5,9H2,1H3
InChIKey
BDIAPSQKXAYRQL-UHFFFAOYSA-N
Compound name
7-propoxy-2H-chromene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.0943 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.10158 145.7
[M+Na]+ 241.08352 153.9
[M-H]- 217.08702 150.9
[M+NH4]+ 236.12812 164.2
[M+K]+ 257.05746 152.6
[M+H-H2O]+ 201.09156 139.3
[M+HCOO]- 263.09250 167.4
[M+CH3COO]- 277.10815 188.7
[M+Na-2H]- 239.06897 153.6
[M]+ 218.09375 149.4
[M]- 218.09485 149.4
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

No patent data available for this compound.