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

413
Patents

266.18018 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.187456 155.9
[M+Na]+ 289.169398 164.9
[M-H]- 265.172904 160.7
[M+NH4]+ 284.214003 174.7
[M+K]+ 305.143338 165.4
[M+H-H2O]+ 249.177440 151.9
[M+HCOO]- 311.178381 172.2
[M+CH3COO]- 325.194031 194.6
[M+Na-2H]- 287.154846 160.5
[M]+ 266.17963142 159.9
[M]- 266.18072858 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