CID 71108589

1346245-52-0

Structural Information

Molecular Formula
C12H20BN3O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC(=O)NC
InChI
InChI=1S/C12H20BN3O3/c1-11(2)12(3,4)19-13(18-11)9-6-15-16(7-9)8-10(17)14-5/h6-7H,8H2,1-5H3,(H,14,17)
InChIKey
CBACZCQOYFWCOQ-UHFFFAOYSA-N
Compound name
N-methyl-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

44
Patents

265.15976 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.16704 155.4
[M+Na]+ 288.14898 164.0
[M-H]- 264.15248 161.5
[M+NH4]+ 283.19358 174.3
[M+K]+ 304.12292 164.8
[M+H-H2O]+ 248.15702 150.2
[M+HCOO]- 310.15796 175.3
[M+CH3COO]- 324.17361 198.1
[M+Na-2H]- 286.13443 158.9
[M]+ 265.15921 159.2
[M]- 265.16031 159.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe