CID 22733820

1-methyl-1h-indole-2-boronic acid

Structural Information

Molecular Formula
C9H10BNO2
SMILES
B(C1=CC2=CC=CC=C2N1C)(O)O
InChI
InChI=1S/C9H10BNO2/c1-11-8-5-3-2-4-7(8)6-9(11)10(12)13/h2-6,12-13H,1H3
InChIKey
CBPBJUTWVXLSER-UHFFFAOYSA-N
Compound name
(1-methylindol-2-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

198
Patents

175.08046 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.087736 133.5
[M+Na]+ 198.069678 143.6
[M-H]- 174.073184 135.1
[M+NH4]+ 193.114283 154.4
[M+K]+ 214.043618 140.4
[M+H-H2O]+ 158.077720 128.1
[M+HCOO]- 220.078661 155.1
[M+CH3COO]- 234.094311 175.5
[M+Na-2H]- 196.055126 139.5
[M]+ 175.07991142 134.6
[M]- 175.08100858 134.6
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