CID 90275698

1616930-45-0

Structural Information

Molecular Formula
C12H19BN2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=NN2C)C(=O)OC
InChI
InChI=1S/C12H19BN2O4/c1-11(2)12(3,4)19-13(18-11)9-7-8(10(16)17-6)14-15(9)5/h7H,1-6H3
InChIKey
BTCGNEKVCSLSPY-UHFFFAOYSA-N
Compound name
methyl 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

266.1438 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15108 155.7
[M+Na]+ 289.13302 165.8
[M+NH4]+ 284.17762 164.1
[M+K]+ 305.10696 163.2
[M-H]- 265.13652 158.2
[M+Na-2H]- 287.11847 160.6
[M]+ 266.14325 158.0
[M]- 266.14435 158.0
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