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

429
Patents

266.18018 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.18746 155.9
[M+Na]+ 289.16940 164.9
[M-H]- 265.17290 160.7
[M+NH4]+ 284.21400 174.7
[M+K]+ 305.14334 165.4
[M+H-H2O]+ 249.17744 151.9
[M+HCOO]- 311.17838 172.2
[M+CH3COO]- 325.19403 194.6
[M+Na-2H]- 287.15485 160.5
[M]+ 266.17963 159.9
[M]- 266.18073 159.9
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

patents stripe