CID 79661470

2019997-43-2

Structural Information

Molecular Formula
C12H21BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2C)CC
InChI
InChI=1S/C12H21BN2O2/c1-7-15-8-10(9(2)14-15)13-16-11(3,4)12(5,6)17-13/h8H,7H2,1-6H3
InChIKey
XSOLSBSVCSWTEM-UHFFFAOYSA-N
Compound name
1-ethyl-3-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

236.1696 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.17688 146.9
[M+Na]+ 259.15882 157.5
[M-H]- 235.16232 153.3
[M+NH4]+ 254.20342 167.9
[M+K]+ 275.13276 158.0
[M+H-H2O]+ 219.16686 142.3
[M+HCOO]- 281.16780 166.5
[M+CH3COO]- 295.18345 192.8
[M+Na-2H]- 257.14427 150.4
[M]+ 236.16905 151.8
[M]- 236.17015 151.8
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