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

84
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

literature stripe

Patent stripe

patents stripe