CID 67004698

1-(3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazol-1-yl)-2-methylpropan-2-ol

Structural Information

Molecular Formula
C15H27BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N(N=C2C)CC(C)(C)O)C
InChI
InChI=1S/C15H27BN2O3/c1-10-12(11(2)18(17-10)9-13(3,4)19)16-20-14(5,6)15(7,8)21-16/h19H,9H2,1-8H3
InChIKey
HWENRWPNBIRPNZ-UHFFFAOYSA-N
Compound name
1-[3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]-2-methylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

294.2115 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.21878 162.7
[M+Na]+ 317.20072 172.6
[M-H]- 293.20422 168.0
[M+NH4]+ 312.24532 181.0
[M+K]+ 333.17466 172.7
[M+H-H2O]+ 277.20876 159.4
[M+HCOO]- 339.20970 178.4
[M+CH3COO]- 353.22535 203.1
[M+Na-2H]- 315.18617 165.4
[M]+ 294.21095 168.3
[M]- 294.21205 168.3
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