CID 71310775

2-ethenyl-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

Structural Information

Molecular Formula
C7H10BNO4
SMILES
B1(OC(=O)CN(CC(=O)O1)C)C=C
InChI
InChI=1S/C7H10BNO4/c1-3-8-12-6(10)4-9(2)5-7(11)13-8/h3H,1,4-5H2,2H3
InChIKey
MGRQGYAVASCCAK-UHFFFAOYSA-N
Compound name
2-ethenyl-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

183.07028 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.07756 146.3
[M+Na]+ 206.05950 151.9
[M-H]- 182.06300 148.3
[M+NH4]+ 201.10410 153.8
[M+K]+ 222.03344 153.3
[M+H-H2O]+ 166.06754 142.8
[M+HCOO]- 228.06848 154.6
[M+CH3COO]- 242.08413 221.1
[M+Na-2H]- 204.04495 147.0
[M]+ 183.06973 146.5
[M]- 183.07083 146.5
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.