CID 44119337

913835-72-0

Structural Information

Molecular Formula
C12H16BNO6
SMILES
B(C1=CC(=CC(=C1)NC(=O)OC(C)(C)C)C(=O)O)(O)O
InChI
InChI=1S/C12H16BNO6/c1-12(2,3)20-11(17)14-9-5-7(10(15)16)4-8(6-9)13(18)19/h4-6,18-19H,1-3H3,(H,14,17)(H,15,16)
InChIKey
DDZVPNHBJRCXEI-UHFFFAOYSA-N
Compound name
3-borono-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.10706 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11434 161.4
[M+Na]+ 304.09628 168.2
[M+NH4]+ 299.14088 164.7
[M+K]+ 320.07022 167.9
[M-H]- 280.09978 158.4
[M+Na-2H]- 302.08173 162.5
[M]+ 281.10651 160.9
[M]- 281.10761 160.9
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.