CID 73415776

Boron citrate

Structural Information

Molecular Formula
C6H5BO7
SMILES
B12OC(=O)CC(CC(=O)O1)(C(=O)O2)O
InChI
InChI=1S/C6H5BO7/c8-3-1-6(11)2-4(9)13-7(12-3)14-5(6)10/h11H,1-2H2
InChIKey
ZZNXTYCNZKDUFC-UHFFFAOYSA-N
Compound name
5-hydroxy-2,8,9-trioxa-1-borabicyclo[3.3.2]decane-3,7,10-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

283
Patents

200.01283 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.02011 147.6
[M+Na]+ 223.00205 152.2
[M+NH4]+ 218.04665 152.2
[M+K]+ 238.97599 151.8
[M-H]- 199.00555 147.7
[M+Na-2H]- 220.98750 147.1
[M]+ 200.01228 148.1
[M]- 200.01338 148.1
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