CID 46737701

6-(pyrrolidin-1-yl)pyridine-3-boronic acid

Structural Information

Molecular Formula
C9H13BN2O2
SMILES
B(C1=CN=C(C=C1)N2CCCC2)(O)O
InChI
InChI=1S/C9H13BN2O2/c13-10(14)8-3-4-9(11-7-8)12-5-1-2-6-12/h3-4,7,13-14H,1-2,5-6H2
InChIKey
XRIDMVCUHIKAFT-UHFFFAOYSA-N
Compound name
(6-pyrrolidin-1-yl-3-pyridinyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
Patents

192.10701 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.11429 140.8
[M+Na]+ 215.09623 146.7
[M-H]- 191.09973 141.9
[M+NH4]+ 210.14083 157.6
[M+K]+ 231.07017 144.1
[M+H-H2O]+ 175.10427 133.2
[M+HCOO]- 237.10521 158.3
[M+CH3COO]- 251.12086 176.3
[M+Na-2H]- 213.08168 143.8
[M]+ 192.10646 136.3
[M]- 192.10756 136.3
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