CID 2760077

1020174-04-2

Structural Information

Molecular Formula
C10H17BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=NN(C=C2)C
InChI
InChI=1S/C10H17BN2O2/c1-9(2)10(3,4)15-11(14-9)8-6-7-13(5)12-8/h6-7H,1-5H3
InChIKey
BJMSXWLXFYZHIU-UHFFFAOYSA-N
Compound name
1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1655
Patents

208.1383 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.14558 138.8
[M+Na]+ 231.12752 149.4
[M-H]- 207.13102 145.2
[M+NH4]+ 226.17212 160.6
[M+K]+ 247.10146 150.4
[M+H-H2O]+ 191.13556 134.2
[M+HCOO]- 253.13650 159.1
[M+CH3COO]- 267.15215 185.7
[M+Na-2H]- 229.11297 143.9
[M]+ 208.13775 142.6
[M]- 208.13885 142.6
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