CID 3836310

4-butoxyphenylboronic acid

Structural Information

Molecular Formula
C10H15BO3
SMILES
B(C1=CC=C(C=C1)OCCCC)(O)O
InChI
InChI=1S/C10H15BO3/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h4-7,12-13H,2-3,8H2,1H3
InChIKey
QUPFQMXWFNJUNJ-UHFFFAOYSA-N
Compound name
(4-butoxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

266
Patents

194.11142 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.11870 141.9
[M+Na]+ 217.10064 148.3
[M-H]- 193.10414 142.7
[M+NH4]+ 212.14524 160.2
[M+K]+ 233.07458 146.2
[M+H-H2O]+ 177.10868 136.3
[M+HCOO]- 239.10962 162.6
[M+CH3COO]- 253.12527 179.6
[M+Na-2H]- 215.08609 146.3
[M]+ 194.11087 142.9
[M]- 194.11197 142.9
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