CID 10321331

99349-68-5

Structural Information

Molecular Formula
C9H10BNO3
SMILES
B(C1=CC(=CC=C1)NC(=O)C=C)(O)O
InChI
InChI=1S/C9H10BNO3/c1-2-9(12)11-8-5-3-4-7(6-8)10(13)14/h2-6,13-14H,1H2,(H,11,12)
InChIKey
ULVXDHIJOKEBMW-UHFFFAOYSA-N
Compound name
[3-(prop-2-enoylamino)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

48
References

1197
Patents

191.07538 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.08266 139.3
[M+Na]+ 214.06460 145.5
[M-H]- 190.06810 140.3
[M+NH4]+ 209.10920 157.0
[M+K]+ 230.03854 143.0
[M+H-H2O]+ 174.07264 133.5
[M+HCOO]- 236.07358 160.7
[M+CH3COO]- 250.08923 180.2
[M+Na-2H]- 212.05005 143.2
[M]+ 191.07483 136.9
[M]- 191.07593 136.9
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