CID 20093793

(2-propylphenyl)boronic acid

Structural Information

Molecular Formula
C9H13BO2
SMILES
B(C1=CC=CC=C1CCC)(O)O
InChI
InChI=1S/C9H13BO2/c1-2-5-8-6-3-4-7-9(8)10(11)12/h3-4,6-7,11-12H,2,5H2,1H3
InChIKey
OUZANECXUCYGEG-UHFFFAOYSA-N
Compound name
(2-propylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

164.10086 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.10814 134.2
[M+Na]+ 187.09008 141.1
[M-H]- 163.09358 135.3
[M+NH4]+ 182.13468 153.8
[M+K]+ 203.06402 138.8
[M+H-H2O]+ 147.09812 129.1
[M+HCOO]- 209.09906 155.0
[M+CH3COO]- 223.11471 174.5
[M+Na-2H]- 185.07553 139.2
[M]+ 164.10031 133.3
[M]- 164.10141 133.3
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