CID 22558942

590417-56-4

Structural Information

Molecular Formula
C9H10BNO2
SMILES
B(C1=C2C=CN(C2=CC=C1)C)(O)O
InChI
InChI=1S/C9H10BNO2/c1-11-6-5-7-8(10(12)13)3-2-4-9(7)11/h2-6,12-13H,1H3
InChIKey
GLLDFWAZHLTQLC-UHFFFAOYSA-N
Compound name
(1-methylindol-4-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

175.08046 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.08774 133.5
[M+Na]+ 198.06968 143.6
[M-H]- 174.07318 135.1
[M+NH4]+ 193.11428 154.4
[M+K]+ 214.04362 140.4
[M+H-H2O]+ 158.07772 128.1
[M+HCOO]- 220.07866 155.1
[M+CH3COO]- 234.09431 175.5
[M+Na-2H]- 196.05513 139.5
[M]+ 175.07991 134.6
[M]- 175.08101 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

literature stripe

Patent stripe

patents stripe