CID 42430

6-methoxy-2h-1-benzopyran-3-carboxaldehyde

Structural Information

Molecular Formula
C11H10O3
SMILES
COC1=CC2=C(C=C1)OCC(=C2)C=O
InChI
InChI=1S/C11H10O3/c1-13-10-2-3-11-9(5-10)4-8(6-12)7-14-11/h2-6H,7H2,1H3
InChIKey
BTRAXMCPHYMXAL-UHFFFAOYSA-N
Compound name
6-methoxy-2H-chromene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

14
Patents

190.06299 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07027 136.0
[M+Na]+ 213.05221 145.2
[M-H]- 189.05571 141.6
[M+NH4]+ 208.09681 155.7
[M+K]+ 229.02615 144.3
[M+H-H2O]+ 173.06025 130.1
[M+HCOO]- 235.06119 158.4
[M+CH3COO]- 249.07684 182.6
[M+Na-2H]- 211.03766 145.1
[M]+ 190.06244 139.1
[M]- 190.06354 139.1
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