CID 177799779

2-[(tert-butoxy)carbonyl]-3,6-dihydro-2h-1,2-oxazine-4-carboxylic acid

Structural Information

Molecular Formula
C10H15NO5
SMILES
CC(C)(C)OC(=O)N1CC(=CCO1)C(=O)O
InChI
InChI=1S/C10H15NO5/c1-10(2,3)16-9(14)11-6-7(8(12)13)4-5-15-11/h4H,5-6H2,1-3H3,(H,12,13)
InChIKey
OQDKVTAIKHEJIY-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydrooxazine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.09502 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.10230 148.7
[M+Na]+ 252.08424 154.7
[M-H]- 228.08774 150.1
[M+NH4]+ 247.12884 163.4
[M+K]+ 268.05818 155.9
[M+H-H2O]+ 212.09228 142.7
[M+HCOO]- 274.09322 164.4
[M+CH3COO]- 288.10887 185.1
[M+Na-2H]- 250.06969 153.0
[M]+ 229.09447 149.7
[M]- 229.09557 149.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.