CID 60136531

1257637-82-3

Structural Information

Molecular Formula
C13H21BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2C3CC3)C
InChI
InChI=1S/C13H21BN2O2/c1-12(2)13(3,4)18-14(17-12)10-8-16(5)15-11(10)9-6-7-9/h8-9H,6-7H2,1-5H3
InChIKey
OBAKARDWOWAFTK-UHFFFAOYSA-N
Compound name
3-cyclopropyl-1-methyl-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

43
Patents

248.1696 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.17688 156.5
[M+Na]+ 271.15882 169.9
[M+NH4]+ 266.20342 167.5
[M+K]+ 287.13276 166.4
[M-H]- 247.16232 169.1
[M+Na-2H]- 269.14427 166.1
[M]+ 248.16905 163.5
[M]- 248.17015 163.5
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