CID 22147341

535934-70-4

Structural Information

Molecular Formula
C8H13BN2O2
SMILES
B(C1=CN=C(C=C1C)N(C)C)(O)O
InChI
InChI=1S/C8H13BN2O2/c1-6-4-8(11(2)3)10-5-7(6)9(12)13/h4-5,12-13H,1-3H3
InChIKey
CVPDQSRAEJAOCP-UHFFFAOYSA-N
Compound name
[6-(dimethylamino)-4-methylpyridin-3-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

180.10701 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.11429 137.5
[M+Na]+ 203.09623 145.1
[M-H]- 179.09973 139.1
[M+NH4]+ 198.14083 155.7
[M+K]+ 219.07017 144.2
[M+H-H2O]+ 163.10427 131.2
[M+HCOO]- 225.10521 158.9
[M+CH3COO]- 239.12086 183.8
[M+Na-2H]- 201.08168 141.9
[M]+ 180.10646 137.7
[M]- 180.10756 137.7
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

patents stripe