CID 178344127

2-(tert-butyl) 4-methyl 3,6-dihydro-2h-1,2-oxazine-2,4-dicarboxylate

Structural Information

Molecular Formula

C₁₁H₁₇NO₅

SMILES

CC(C)(C)OC(=O)N1CC(=CCO1)C(=O)OC

InChI

InChI=1S/C11H17NO5/c1-11(2,3)17-10(14)12-7-8(5-6-16-12)9(13)15-4/h5H,6-7H2,1-4H3

InChIKey

QKUSBTZRYPYARG-UHFFFAOYSA-N

Compound name

2-O-tert-butyl 4-O-methyl 3,6-dihydrooxazine-2,4-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 243.11067 Da
Monoisotopic Mass: 1.0
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]+	244.117946	152.6
[M+Na]+	266.099888	158.8
[M-H]-	242.103394	155.4
[M+NH4]+	261.144493	167.6
[M+K]+	282.073828	160.6
[M+H-H2O]+	226.107930	146.3
[M+HCOO]-	288.108871	169.6
[M+CH3COO]-	302.124521	189.9
[M+Na-2H]-	264.085336	157.0
[M]+	243.11012142	155.9
[M]-	243.11121858	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.