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

7
Patents

262.1125 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.11978 158.1
[M+Na]+ 285.10172 167.0
[M-H]- 261.10522 158.4
[M+NH4]+ 280.14632 174.1
[M+K]+ 301.07566 164.8
[M+H-H2O]+ 245.10976 151.9
[M+HCOO]- 307.11070 175.3
[M+CH3COO]- 321.12635 190.1
[M+Na-2H]- 283.08717 162.4
[M]+ 262.11195 161.5
[M]- 262.11305 161.5
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