CID 121227561

(1-acetylpiperidin-4-yl)boronic acid

Structural Information

Molecular Formula
C7H14BNO3
SMILES
B(C1CCN(CC1)C(=O)C)(O)O
InChI
InChI=1S/C7H14BNO3/c1-6(10)9-4-2-7(3-5-9)8(11)12/h7,11-12H,2-5H2,1H3
InChIKey
ZKAQEETWDPGWMF-UHFFFAOYSA-N
Compound name
(1-acetylpiperidin-4-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.10667 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.11395 137.0
[M+Na]+ 194.09589 141.7
[M-H]- 170.09939 135.9
[M+NH4]+ 189.14049 154.5
[M+K]+ 210.06983 140.9
[M+H-H2O]+ 154.10393 131.3
[M+HCOO]- 216.10487 152.2
[M+CH3COO]- 230.12052 173.7
[M+Na-2H]- 192.08134 138.8
[M]+ 171.10612 131.7
[M]- 171.10722 131.7
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.