CID 71310858

6-methyl-2-(oxiran-2-yl)-1,3,6,2-dioxazaborocane-4,8-dione

Structural Information

Molecular Formula
C7H10BNO5
SMILES
B1(OC(=O)CN(CC(=O)O1)C)C2CO2
InChI
InChI=1S/C7H10BNO5/c1-9-2-6(10)13-8(5-4-12-5)14-7(11)3-9/h5H,2-4H2,1H3
InChIKey
USSYHTHDUBKRQF-UHFFFAOYSA-N
Compound name
6-methyl-2-(oxiran-2-yl)-1,3,6,2-dioxazaborocane-4,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

199.0652 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.07248 138.0
[M+Na]+ 222.05442 144.2
[M-H]- 198.05792 142.1
[M+NH4]+ 217.09902 142.7
[M+K]+ 238.02836 146.2
[M+H-H2O]+ 182.06246 134.3
[M+HCOO]- 244.06340 146.2
[M+CH3COO]- 258.07905 223.5
[M+Na-2H]- 220.03987 140.2
[M]+ 199.06465 140.2
[M]- 199.06575 140.2
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