CID 46739463

1105511-68-9

Structural Information

Molecular Formula
C8H13BN2O3
SMILES
B(C1=CC=NN1C2CCCCO2)(O)O
InChI
InChI=1S/C8H13BN2O3/c12-9(13)7-4-5-10-11(7)8-3-1-2-6-14-8/h4-5,8,12-13H,1-3,6H2
InChIKey
YRADCPLKXBTOTI-UHFFFAOYSA-N
Compound name
[2-(oxan-2-yl)pyrazol-3-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

196.10193 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.10921 142.0
[M+Na]+ 219.09115 151.6
[M+NH4]+ 214.13575 148.7
[M+K]+ 235.06509 150.1
[M-H]- 195.09465 143.6
[M+Na-2H]- 217.07660 145.8
[M]+ 196.10138 143.4
[M]- 196.10248 143.4
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