CID 66880

Trimethoxyboroxine

Structural Information

Molecular Formula
C3H9B3O6
SMILES
B1(OB(OB(O1)OC)OC)OC
InChI
InChI=1S/C3H9B3O6/c1-7-4-10-5(8-2)12-6(9-3)11-4/h1-3H3
InChIKey
ZFMOJHVRFMOIGF-UHFFFAOYSA-N
Compound name
2,4,6-trimethoxy-1,3,5,2,4,6-trioxatriborinane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

1919
Patents

174.06783 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.07511 127.9
[M+Na]+ 197.05705 135.5
[M-H]- 173.06055 133.6
[M+NH4]+ 192.10165 144.5
[M+K]+ 213.03099 141.0
[M+H-H2O]+ 157.06509 122.6
[M+HCOO]- 219.06603 147.9
[M+CH3COO]- 233.08168 176.9
[M+Na-2H]- 195.04250 137.3
[M]+ 174.06728 133.9
[M]- 174.06838 133.9
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