CID 23567174

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

Structural Information

Molecular Formula
C11H13NO3
SMILES
COC(=O)C1CCC2=C(O1)C=CC(=C2)N
InChI
InChI=1S/C11H13NO3/c1-14-11(13)10-4-2-7-6-8(12)3-5-9(7)15-10/h3,5-6,10H,2,4,12H2,1H3
InChIKey
OEJDSGOTKRYTJE-UHFFFAOYSA-N
Compound name
methyl 6-amino-3,4-dihydro-2H-chromene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

207.08954 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09682 143.3
[M+Na]+ 230.07876 150.3
[M-H]- 206.08226 148.0
[M+NH4]+ 225.12336 161.6
[M+K]+ 246.05270 149.6
[M+H-H2O]+ 190.08680 137.1
[M+HCOO]- 252.08774 163.6
[M+CH3COO]- 266.10339 187.6
[M+Na-2H]- 228.06421 149.4
[M]+ 207.08899 142.5
[M]- 207.09009 142.5
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

patents stripe