CID 72218563

2223055-83-0

Structural Information

Molecular Formula
C15H26BNO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(CCO2)C(=O)OC(C)(C)C
InChI
InChI=1S/C15H26BNO5/c1-13(2,3)20-12(18)17-8-9-19-11(10-17)16-21-14(4,5)15(6,7)22-16/h10H,8-9H2,1-7H3
InChIKey
YAQVBHHWVXILJH-UHFFFAOYSA-N
Compound name
tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1,4-oxazine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

311.1904 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.197676 167.1
[M+Na]+ 334.179618 174.1
[M-H]- 310.183124 174.4
[M+NH4]+ 329.224223 182.8
[M+K]+ 350.153558 177.4
[M+H-H2O]+ 294.187660 163.1
[M+HCOO]- 356.188601 180.6
[M+CH3COO]- 370.204251 203.9
[M+Na-2H]- 332.165066 171.9
[M]+ 311.18985142 171.7
[M]- 311.19094858 171.7
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

patents stripe