CID 46739463

1-(tetrahydropyran-2-yl)pyrazole-5-boronic acid

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

119
Patents

196.10193 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.10921 140.8
[M+Na]+ 219.09115 146.1
[M-H]- 195.09465 142.3
[M+NH4]+ 214.13575 156.1
[M+K]+ 235.06509 145.4
[M+H-H2O]+ 179.09919 133.3
[M+HCOO]- 241.10013 156.5
[M+CH3COO]- 255.11578 175.8
[M+Na-2H]- 217.07660 144.0
[M]+ 196.10138 136.5
[M]- 196.10248 136.5
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