CID 57891415

930596-20-6

Structural Information

Molecular Formula
C13H22BN3O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC(=O)N(C)C
InChI
InChI=1S/C13H22BN3O3/c1-12(2)13(3,4)20-14(19-12)10-7-15-17(8-10)9-11(18)16(5)6/h7-8H,9H2,1-6H3
InChIKey
RVZZYZZVSAPLOO-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

279.1754 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.18268 159.0
[M+Na]+ 302.16462 167.4
[M-H]- 278.16812 166.5
[M+NH4]+ 297.20922 178.0
[M+K]+ 318.13856 169.4
[M+H-H2O]+ 262.17266 153.7
[M+HCOO]- 324.17360 179.1
[M+CH3COO]- 338.18925 204.4
[M+Na-2H]- 300.15007 161.5
[M]+ 279.17485 164.4
[M]- 279.17595 164.4
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