CID 58204131

1082503-77-2

Structural Information

Molecular Formula
C13H23BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC(C)(C)O
InChI
InChI=1S/C13H23BN2O3/c1-11(2,17)9-16-8-10(7-15-16)14-18-12(3,4)13(5,6)19-14/h7-8,17H,9H2,1-6H3
InChIKey
GCHUQHKHUFMWDH-UHFFFAOYSA-N
Compound name
2-methyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

377
Patents

266.18018 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.18746 156.6
[M+Na]+ 289.16940 166.0
[M+NH4]+ 284.21400 165.2
[M+K]+ 305.14334 163.4
[M-H]- 265.17290 158.8
[M+Na-2H]- 287.15485 161.9
[M]+ 266.17963 158.8
[M]- 266.18073 158.8
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