CID 137952305

2241232-82-4

Structural Information

Molecular Formula
C13H21BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=NN2C)C3CC3
InChI
InChI=1S/C13H21BN2O2/c1-12(2)13(3,4)18-14(17-12)11-10(9-6-7-9)8-15-16(11)5/h8-9H,6-7H2,1-5H3
InChIKey
BMNFSWIRHCGCMD-UHFFFAOYSA-N
Compound name
4-cyclopropyl-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

248.1696 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.176876 153.5
[M+Na]+ 271.158818 165.1
[M-H]- 247.162324 163.4
[M+NH4]+ 266.203423 168.8
[M+K]+ 287.132758 165.2
[M+H-H2O]+ 231.166860 148.7
[M+HCOO]- 293.167801 171.8
[M+CH3COO]- 307.183451 167.0
[M+Na-2H]- 269.144266 156.2
[M]+ 248.16905142 160.0
[M]- 248.17014858 160.0
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