CID 64313808

[2-(but-3-en-1-yloxy)phenyl]boronic acid

Structural Information

Molecular Formula
C10H13BO3
SMILES
B(C1=CC=CC=C1OCCC=C)(O)O
InChI
InChI=1S/C10H13BO3/c1-2-3-8-14-10-7-5-4-6-9(10)11(12)13/h2,4-7,12-13H,1,3,8H2
InChIKey
MVCOJELFIBMARL-UHFFFAOYSA-N
Compound name
(2-but-3-enoxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.09578 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.10306 140.6
[M+Na]+ 215.08500 147.2
[M-H]- 191.08850 141.4
[M+NH4]+ 210.12960 158.8
[M+K]+ 231.05894 144.5
[M+H-H2O]+ 175.09304 135.0
[M+HCOO]- 237.09398 161.4
[M+CH3COO]- 251.10963 178.7
[M+Na-2H]- 213.07045 145.0
[M]+ 192.09523 140.8
[M]- 192.09633 140.8
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

No patent data available for this compound.