CID 3016474

48150-45-4

Structural Information

Molecular Formula
C10H12BNO3
SMILES
B(C1=CC(=CC=C1)NC(=O)C(=C)C)(O)O
InChI
InChI=1S/C10H12BNO3/c1-7(2)10(13)12-9-5-3-4-8(6-9)11(14)15/h3-6,14-15H,1H2,2H3,(H,12,13)
InChIKey
GBBUBIKYAQLESK-UHFFFAOYSA-N
Compound name
[3-(2-methylprop-2-enoylamino)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

453
Patents

205.09102 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.09830 144.0
[M+Na]+ 228.08024 149.6
[M-H]- 204.08374 145.0
[M+NH4]+ 223.12484 161.1
[M+K]+ 244.05418 147.4
[M+H-H2O]+ 188.08828 138.3
[M+HCOO]- 250.08922 164.1
[M+CH3COO]- 264.10487 184.2
[M+Na-2H]- 226.06569 146.2
[M]+ 205.09047 141.4
[M]- 205.09157 141.4
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