CID 66761185

1326715-94-9

Structural Information

Molecular Formula
C12H15BN2O4
SMILES
B(C1=CN(C2=C1C=CN=C2)C(=O)OC(C)(C)C)(O)O
InChI
InChI=1S/C12H15BN2O4/c1-12(2,3)19-11(16)15-7-9(13(17)18)8-4-5-14-6-10(8)15/h4-7,17-18H,1-3H3
InChIKey
NSNINLFIEPKJOF-UHFFFAOYSA-N
Compound name
[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-3-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

262.1125 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.11978 157.2
[M+Na]+ 285.10172 167.5
[M+NH4]+ 280.14632 162.4
[M+K]+ 301.07566 166.7
[M-H]- 261.10522 155.0
[M+Na-2H]- 283.08717 160.2
[M]+ 262.11195 157.7
[M]- 262.11305 157.7
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