CID 66509566

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

Structural Information

Molecular Formula
C15H25BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2C3CC3)CCC
InChI
InChI=1S/C15H25BN2O2/c1-6-9-18-10-12(13(17-18)11-7-8-11)16-19-14(2,3)15(4,5)20-16/h10-11H,6-9H2,1-5H3
InChIKey
CGZQSJKXOMSDCS-UHFFFAOYSA-N
Compound name
3-cyclopropyl-1-propyl-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

276.2009 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.20818 161.8
[M+Na]+ 299.19012 172.5
[M-H]- 275.19362 171.3
[M+NH4]+ 294.23472 176.0
[M+K]+ 315.16406 172.2
[M+H-H2O]+ 259.19816 156.6
[M+HCOO]- 321.19910 179.4
[M+CH3COO]- 335.21475 202.6
[M+Na-2H]- 297.17557 163.5
[M]+ 276.20035 168.9
[M]- 276.20145 168.9
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.