CID 59327133

1151802-22-0

Structural Information

Molecular Formula
C12H19BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C3CC3
InChI
InChI=1S/C12H19BN2O2/c1-11(2)12(3,4)17-13(16-11)9-7-14-15(8-9)10-5-6-10/h7-8,10H,5-6H2,1-4H3
InChIKey
NLWYVKHISUTBMY-UHFFFAOYSA-N
Compound name
1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

571
Patents

234.15396 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16124 150.1
[M+Na]+ 257.14318 161.3
[M-H]- 233.14668 159.9
[M+NH4]+ 252.18778 165.7
[M+K]+ 273.11712 161.8
[M+H-H2O]+ 217.15122 145.0
[M+HCOO]- 279.15216 168.8
[M+CH3COO]- 293.16781 163.7
[M+Na-2H]- 255.12863 153.8
[M]+ 234.15341 155.8
[M]- 234.15451 155.8
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