CID 17952211

155352-23-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

139
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

No literature data available for this compound.

Patent stripe

patents stripe