CID 165458158

En300-739120

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]+ 221.08084 144.2
[M+Na]+ 243.06278 151.9
[M-H]- 219.06628 149.4
[M+NH4]+ 238.10738 162.4
[M+K]+ 259.03672 151.4
[M+H-H2O]+ 203.07082 138.1
[M+HCOO]- 265.07176 164.2
[M+CH3COO]- 279.08741 187.6
[M+Na-2H]- 241.04823 150.6
[M]+ 220.07301 146.2
[M]- 220.07411 146.3
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.