CID 60146089

Methyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazol-1-yl)acetate

Structural Information

Molecular Formula
C12H19BN2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC(=O)OC
InChI
InChI=1S/C12H19BN2O4/c1-11(2)12(3,4)19-13(18-11)9-6-14-15(7-9)8-10(16)17-5/h6-7H,8H2,1-5H3
InChIKey
WNEGZRZFYCBUGX-UHFFFAOYSA-N
Compound name
methyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

266.1438 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15108 153.0
[M+Na]+ 289.13302 162.4
[M-H]- 265.13652 159.2
[M+NH4]+ 284.17762 172.2
[M+K]+ 305.10696 164.0
[M+H-H2O]+ 249.14106 148.3
[M+HCOO]- 311.14200 172.2
[M+CH3COO]- 325.15765 195.2
[M+Na-2H]- 287.11847 156.3
[M]+ 266.14325 159.0
[M]- 266.14435 159.1
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