CID 125461589

3-cyclopropyl-1-ethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazole

Structural Information

Molecular Formula
C14H23BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2C3CC3)CC
InChI
InChI=1S/C14H23BN2O2/c1-6-17-9-11(12(16-17)10-7-8-10)15-18-13(2,3)14(4,5)19-15/h9-10H,6-8H2,1-5H3
InChIKey
QTGPHRUBZRGBAZ-UHFFFAOYSA-N
Compound name
3-cyclopropyl-1-ethyl-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

0
Patents

262.18527 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.19255 157.7
[M+Na]+ 285.17449 168.8
[M-H]- 261.17799 167.4
[M+NH4]+ 280.21909 172.4
[M+K]+ 301.14843 168.7
[M+H-H2O]+ 245.18253 152.7
[M+HCOO]- 307.18347 175.6
[M+CH3COO]- 321.19912 199.8
[M+Na-2H]- 283.15994 159.8
[M]+ 262.18472 164.4
[M]- 262.18582 164.4
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

No patent data available for this compound.