CID 117988953

1879589-40-8

Structural Information

Molecular Formula

C₁₂H₁₅NO₃

SMILES

C1CCON(C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C12H15NO3/c14-12(13-8-4-5-9-16-13)15-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2

InChIKey

MHJCCQHMRUJLID-UHFFFAOYSA-N

Compound name

benzyl oxazinane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 221.1052 Da
Monoisotopic Mass: 2.2
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]+	222.112476	148.9
[M+Na]+	244.094418	153.3
[M-H]-	220.097924	153.7
[M+NH4]+	239.139023	163.7
[M+K]+	260.068358	152.9
[M+H-H2O]+	204.102460	140.5
[M+HCOO]-	266.103401	167.2
[M+CH3COO]-	280.119051	184.5
[M+Na-2H]-	242.079866	154.6
[M]+	221.10465142	146.8
[M]-	221.10574858	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe