CID 132354143

2105139-81-7

Structural Information

Molecular Formula

C₉H₁₁NO₃

SMILES

COC(=O)C1=C2COCCN2C=C1

InChI

InChI=1S/C9H11NO3/c1-12-9(11)7-2-3-10-4-5-13-6-8(7)10/h2-3H,4-6H2,1H3

InChIKey

HNRPFYZCBHNNEX-UHFFFAOYSA-N

Compound name

methyl 3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 181.0739 Da
Monoisotopic Mass: -0.1
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]+	182.081176	136.0
[M+Na]+	204.063118	143.7
[M-H]-	180.066624	139.7
[M+NH4]+	199.107723	156.1
[M+K]+	220.037058	143.9
[M+H-H2O]+	164.071160	130.0
[M+HCOO]-	226.072101	156.0
[M+CH3COO]-	240.087751	178.6
[M+Na-2H]-	202.048566	141.9
[M]+	181.07335142	137.0
[M]-	181.07444858	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.