CID 155819569

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

Structural Information

Molecular Formula
C6H10BNO5
SMILES
B1(OC(=O)CN(CC(=O)O1)C)CO
InChI
InChI=1S/C6H10BNO5/c1-8-2-5(10)12-7(4-9)13-6(11)3-8/h9H,2-4H2,1H3
InChIKey
UDAQDUSLPIXBEK-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.0652 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.07248 145.6
[M+Na]+ 210.05442 151.0
[M-H]- 186.05792 147.1
[M+NH4]+ 205.09902 152.7
[M+K]+ 226.02836 152.7
[M+H-H2O]+ 170.06246 142.1
[M+HCOO]- 232.06340 153.5
[M+CH3COO]- 246.07905 220.0
[M+Na-2H]- 208.03987 146.5
[M]+ 187.06465 145.8
[M]- 187.06575 145.8
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.