CID 74890601

1638360-07-2

Structural Information

Molecular Formula
C11H16BN3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=NN2C)C#N
InChI
InChI=1S/C11H16BN3O2/c1-10(2)11(3,4)17-12(16-10)9-8(6-13)7-14-15(9)5/h7H,1-5H3
InChIKey
MHKVFOLXIHFKRC-UHFFFAOYSA-N
Compound name
1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

233.13356 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14084 138.4
[M+Na]+ 256.12278 151.3
[M-H]- 232.12628 143.3
[M+NH4]+ 251.16738 156.9
[M+K]+ 272.09672 149.3
[M+H-H2O]+ 216.13082 126.2
[M+HCOO]- 278.13176 155.0
[M+CH3COO]- 292.14741 202.2
[M+Na-2H]- 254.10823 142.7
[M]+ 233.13301 137.4
[M]- 233.13411 137.4
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