CID 53440242

1082503-79-4

Structural Information

Molecular Formula
C13H23BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N(N=C2C)CC)C
InChI
InChI=1S/C13H23BN2O2/c1-8-16-10(3)11(9(2)15-16)14-17-12(4,5)13(6,7)18-14/h8H2,1-7H3
InChIKey
WCVMGDHLFGKAEC-UHFFFAOYSA-N
Compound name
1-ethyl-3,5-dimethyl-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

7
Patents

250.18526 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.19254 150.3
[M+Na]+ 273.17448 161.4
[M-H]- 249.17798 156.9
[M+NH4]+ 268.21908 171.0
[M+K]+ 289.14842 161.6
[M+H-H2O]+ 233.18252 146.0
[M+HCOO]- 295.18346 169.5
[M+CH3COO]- 309.19911 197.0
[M+Na-2H]- 271.15993 152.8
[M]+ 250.18471 156.0
[M]- 250.18581 156.0
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