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

142
Patents

191.07538 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.082656 139.3
[M+Na]+ 214.064598 145.5
[M-H]- 190.068104 140.3
[M+NH4]+ 209.109203 157.0
[M+K]+ 230.038538 143.0
[M+H-H2O]+ 174.072640 133.5
[M+HCOO]- 236.073581 160.7
[M+CH3COO]- 250.089231 180.2
[M+Na-2H]- 212.050046 143.2
[M]+ 191.07483142 136.9
[M]- 191.07592858 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