CID 56965734

1083326-46-8

Structural Information

Molecular Formula
C11H18BN3O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC(=O)N
InChI
InChI=1S/C11H18BN3O3/c1-10(2)11(3,4)18-12(17-10)8-5-14-15(6-8)7-9(13)16/h5-6H,7H2,1-4H3,(H2,13,16)
InChIKey
XFYVLZVRMQJRCB-UHFFFAOYSA-N
Compound name
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

135
Patents

251.14412 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.15140 153.2
[M+Na]+ 274.13334 162.0
[M+NH4]+ 269.17794 161.6
[M+K]+ 290.10728 159.5
[M-H]- 250.13684 156.2
[M+Na-2H]- 272.11879 158.2
[M]+ 251.14357 155.3
[M]- 251.14467 155.3
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