CID 2724942

4vu0je4ysk

Structural Information

Molecular Formula
C6H10BO6
SMILES
[BH-](OC(=O)C)(OC(=O)C)OC(=O)C
InChI
InChI=1S/C6H10BO6/c1-4(8)11-7(12-5(2)9)13-6(3)10/h7H,1-3H3/q-1
InChIKey
JVCCMXQDRZDLSY-UHFFFAOYSA-N
Compound name
triacetyloxyboranuide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

78068
Patents

189.05704 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.06432 134.9
[M+Na]+ 212.04626 141.5
[M-H]- 188.04976 133.7
[M+NH4]+ 207.09086 153.8
[M+K]+ 228.02020 143.9
[M+H-H2O]+ 172.05430 132.5
[M+HCOO]- 234.05524 156.0
[M+CH3COO]- 248.07089 177.2
[M+Na-2H]- 210.03171 136.1
[M]+ 189.05649 138.0
[M]- 189.05759 138.0
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