CID 56973077

1393823-00-1

Structural Information

Molecular Formula
C4H6BN2O3
SMILES
[B-](C1=NC=CN=C1)(O)(O)O
InChI
InChI=1S/C4H6BN2O3/c8-5(9,10)4-3-6-1-2-7-4/h1-3,8-10H/q-1
InChIKey
NEPIJFRSIYPNGX-UHFFFAOYSA-N
Compound name
trihydroxy(pyrazin-2-yl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.04715 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.05443 123.4
[M+Na]+ 164.03637 131.0
[M-H]- 140.03987 119.1
[M+NH4]+ 159.08097 139.5
[M+K]+ 180.01031 129.0
[M+H-H2O]+ 124.04441 120.0
[M+HCOO]- 186.04535 140.7
[M+CH3COO]- 200.06100 159.3
[M+Na-2H]- 162.02182 132.5
[M]+ 141.04660 118.4
[M]- 141.04770 118.4
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.