CID 46739098

863752-59-4

Structural Information

Molecular Formula
C10H15BN2O4
SMILES
B(C1=C(C=CN=C1)NC(=O)OC(C)(C)C)(O)O
InChI
InChI=1S/C10H15BN2O4/c1-10(2,3)17-9(14)13-8-4-5-12-6-7(8)11(15)16/h4-6,15-16H,1-3H3,(H,12,13,14)
InChIKey
VTWBZVDHQCJRAA-UHFFFAOYSA-N
Compound name
[4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

238.11249 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.11977 152.2
[M+Na]+ 261.10171 158.1
[M-H]- 237.10521 152.0
[M+NH4]+ 256.14631 167.0
[M+K]+ 277.07565 157.1
[M+H-H2O]+ 221.10975 145.9
[M+HCOO]- 283.11069 170.5
[M+CH3COO]- 297.12634 188.0
[M+Na-2H]- 259.08716 156.7
[M]+ 238.11194 152.2
[M]- 238.11304 152.2
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