CID 66509405

1071496-88-2

Structural Information

Molecular Formula
C12H21BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=NN(C=C2)C(C)C
InChI
InChI=1S/C12H21BN2O2/c1-9(2)15-8-7-10(14-15)13-16-11(3,4)12(5,6)17-13/h7-9H,1-6H3
InChIKey
LWGNAJWTBRYFJZ-UHFFFAOYSA-N
Compound name
1-propan-2-yl-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

91
Patents

236.1696 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.17688 148.3
[M+Na]+ 259.15882 157.7
[M-H]- 235.16232 154.4
[M+NH4]+ 254.20342 168.9
[M+K]+ 275.13276 158.7
[M+H-H2O]+ 219.16686 143.5
[M+HCOO]- 281.16780 166.9
[M+CH3COO]- 295.18345 192.5
[M+Na-2H]- 257.14427 151.1
[M]+ 236.16905 152.2
[M]- 236.17015 152.2
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