CID 1631814

7-propoxy-chromen-2-one

Structural Information

Molecular Formula
C12H12O3
SMILES
CCCOC1=CC2=C(C=C1)C=CC(=O)O2
InChI
InChI=1S/C12H12O3/c1-2-7-14-10-5-3-9-4-6-12(13)15-11(9)8-10/h3-6,8H,2,7H2,1H3
InChIKey
FCCCOTWGEKNZMI-UHFFFAOYSA-N
Compound name
7-propoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

15
Patents

204.07864 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.08592 139.9
[M+Na]+ 227.06786 149.7
[M-H]- 203.07136 145.7
[M+NH4]+ 222.11246 159.2
[M+K]+ 243.04180 148.4
[M+H-H2O]+ 187.07590 133.7
[M+HCOO]- 249.07684 163.4
[M+CH3COO]- 263.09249 185.4
[M+Na-2H]- 225.05331 149.4
[M]+ 204.07809 144.7
[M]- 204.07919 144.7
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