CID 2774010

269410-08-4

Structural Information

Molecular Formula
C9H15BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CNN=C2
InChI
InChI=1S/C9H15BN2O2/c1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7/h5-6H,1-4H3,(H,11,12)
InChIKey
TVOJIBGZFYMWDT-UHFFFAOYSA-N
Compound name
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5912
Patents

194.12267 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.12995 136.6
[M+Na]+ 217.11189 146.2
[M-H]- 193.11539 141.4
[M+NH4]+ 212.15649 157.9
[M+K]+ 233.08583 146.5
[M+H-H2O]+ 177.11993 131.8
[M+HCOO]- 239.12087 155.6
[M+CH3COO]- 253.13652 179.0
[M+Na-2H]- 215.09734 142.2
[M]+ 194.12212 137.8
[M]- 194.12322 137.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe