CID 53216292

1217500-64-5

Structural Information

Molecular Formula
C6H8BNO4
SMILES
B(C1=CC=C(N1)C(=O)OC)(O)O
InChI
InChI=1S/C6H8BNO4/c1-12-6(9)4-2-3-5(8-4)7(10)11/h2-3,8,10-11H,1H3
InChIKey
OERJCWGVVLKNIL-UHFFFAOYSA-N
Compound name
(5-methoxycarbonyl-1H-pyrrol-2-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.05464 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.06192 134.0
[M+Na]+ 192.04386 142.2
[M+NH4]+ 187.08846 139.4
[M+K]+ 208.01780 142.0
[M-H]- 168.04736 131.3
[M+Na-2H]- 190.02931 136.1
[M]+ 169.05409 133.8
[M]- 169.05519 133.8
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.