CID 75132240

2225155-96-2

Structural Information

Molecular Formula
C8H12BNO2
SMILES
B(C1=CN=C(C=C1)C(C)C)(O)O
InChI
InChI=1S/C8H12BNO2/c1-6(2)8-4-3-7(5-10-8)9(11)12/h3-6,11-12H,1-2H3
InChIKey
BOEITCPLEOEZLF-UHFFFAOYSA-N
Compound name
(6-propan-2-yl-3-pyridinyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

165.09612 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.103396 134.2
[M+Na]+ 188.085338 141.2
[M-H]- 164.088844 134.0
[M+NH4]+ 183.129943 152.3
[M+K]+ 204.059278 139.5
[M+H-H2O]+ 148.093380 128.4
[M+HCOO]- 210.094321 153.0
[M+CH3COO]- 224.109971 175.0
[M+Na-2H]- 186.070786 138.5
[M]+ 165.09557142 132.8
[M]- 165.09666858 132.8
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

patents stripe