CID 16244416

939758-84-6

Structural Information

Molecular Formula

C₁₁H₁₃NO₃

SMILES

COC(=O)C1=CC2=C(C=C1)OCCC2N

InChI

InChI=1S/C11H13NO3/c1-14-11(13)7-2-3-10-8(6-7)9(12)4-5-15-10/h2-3,6,9H,4-5,12H2,1H3

InChIKey

IOBRXIWDOUNCAF-UHFFFAOYSA-N

Compound name

methyl 4-amino-3,4-dihydro-2H-chromene-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 207.08954 Da
Monoisotopic Mass: 0.8
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]+	208.09682	143.5
[M+Na]+	230.07876	155.1
[M+NH4]+	225.12336	151.8
[M+K]+	246.05270	150.0
[M-H]-	206.08226	147.3
[M+Na-2H]-	228.06421	148.0
[M]+	207.08899	146.1
[M]-	207.09009	146.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe