CID 23567174

847948-85-0

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: 6
Patents: 207.08954 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	208.096816	143.3
[M+Na]+	230.078758	150.3
[M-H]-	206.082264	148.0
[M+NH4]+	225.123363	161.6
[M+K]+	246.052698	149.6
[M+H-H2O]+	190.086800	137.1
[M+HCOO]-	252.087741	163.6
[M+CH3COO]-	266.103391	187.6
[M+Na-2H]-	228.064206	149.4
[M]+	207.08899142	142.5
[M]-	207.09008858	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe