CID 16218139

[4-(3-methylbutoxy)phenyl]boronic acid

Structural Information

Molecular Formula
C11H17BO3
SMILES
B(C1=CC=C(C=C1)OCCC(C)C)(O)O
InChI
InChI=1S/C11H17BO3/c1-9(2)7-8-15-11-5-3-10(4-6-11)12(13)14/h3-6,9,13-14H,7-8H2,1-2H3
InChIKey
AJZCFXNTJZWRPP-UHFFFAOYSA-N
Compound name
[4-(3-methylbutoxy)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

208.12708 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.13436 146.8
[M+Na]+ 231.11630 152.4
[M-H]- 207.11980 147.5
[M+NH4]+ 226.16090 164.4
[M+K]+ 247.09024 150.7
[M+H-H2O]+ 191.12434 141.1
[M+HCOO]- 253.12528 166.1
[M+CH3COO]- 267.14093 183.5
[M+Na-2H]- 229.10175 149.4
[M]+ 208.12653 147.4
[M]- 208.12763 147.4
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