CID 3044609

57543-46-1

Structural Information

Molecular Formula
C12H12O3
SMILES
CC1C(=CC2=C(O1)C=CC(=C2)OC)C=O
InChI
InChI=1S/C12H12O3/c1-8-10(7-13)5-9-6-11(14-2)3-4-12(9)15-8/h3-8H,1-2H3
InChIKey
NQNNNUPVYISRMK-UHFFFAOYSA-N
Compound name
6-methoxy-2-methyl-2H-chromene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.07864 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.08592 140.5
[M+Na]+ 227.06786 150.2
[M-H]- 203.07136 146.3
[M+NH4]+ 222.11246 160.0
[M+K]+ 243.04180 149.1
[M+H-H2O]+ 187.07590 134.6
[M+HCOO]- 249.07684 162.5
[M+CH3COO]- 263.09249 186.9
[M+Na-2H]- 225.05331 148.4
[M]+ 204.07809 144.3
[M]- 204.07919 144.3
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.