CID 56973065

1393822-96-2

Structural Information

Molecular Formula
C5H7BNO3
SMILES
[B-](C1=CC=CC=N1)(O)(O)O
InChI
InChI=1S/C5H7BNO3/c8-6(9,10)5-3-1-2-4-7-5/h1-4,8-10H/q-1
InChIKey
XQHXMCXSYNMSHT-UHFFFAOYSA-N
Compound name
trihydroxy(pyridin-2-yl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

140.0519 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.05918 123.0
[M+Na]+ 163.04112 130.2
[M-H]- 139.04462 119.9
[M+NH4]+ 158.08572 140.5
[M+K]+ 179.01506 128.1
[M+H-H2O]+ 123.04916 120.3
[M+HCOO]- 185.05010 141.3
[M+CH3COO]- 199.06575 159.5
[M+Na-2H]- 161.02657 131.5
[M]+ 140.05135 117.9
[M]- 140.05245 117.9
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.