CID 165458158

Methyl 8-formyl-3,4-dihydro-2h-1-benzopyran-6-carboxylate

Structural Information

Molecular Formula
C12H12O4
SMILES
COC(=O)C1=CC2=C(C(=C1)C=O)OCCC2
InChI
InChI=1S/C12H12O4/c1-15-12(14)9-5-8-3-2-4-16-11(8)10(6-9)7-13/h5-7H,2-4H2,1H3
InChIKey
KCSNVZSFCVZYGF-UHFFFAOYSA-N
Compound name
methyl 8-formyl-3,4-dihydro-2H-chromene-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.07356 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.080836 144.2
[M+Na]+ 243.062778 151.9
[M-H]- 219.066284 149.4
[M+NH4]+ 238.107383 162.4
[M+K]+ 259.036718 151.4
[M+H-H2O]+ 203.070820 138.1
[M+HCOO]- 265.071761 164.2
[M+CH3COO]- 279.087411 187.6
[M+Na-2H]- 241.048226 150.6
[M]+ 220.07301142 146.2
[M]- 220.07410858 146.2
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.