CID 46839501

1353006-45-7

Structural Information

Molecular Formula

C₁₂H₁₅NO₃

SMILES

C1COC[C@H](N1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C12H15NO3/c14-12(11-9-15-7-6-13-11)16-8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2/t11-/m0/s1

InChIKey

DWBKKSPJNXBNNS-NSHDSACASA-N

Compound name

benzyl (3S)-morpholine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 221.1052 Da
Monoisotopic Mass: 0.9
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	149.1
[M+Na]+	244.094418	153.0
[M-H]-	220.097924	152.5
[M+NH4]+	239.139023	163.1
[M+K]+	260.068358	151.7
[M+H-H2O]+	204.102460	141.0
[M+HCOO]-	266.103401	165.9
[M+CH3COO]-	280.119051	182.6
[M+Na-2H]-	242.079866	154.4
[M]+	221.10465142	145.3
[M]-	221.10574858	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe