CID 68542094

1-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazol-4-amine hydrochloride

Structural Information

Molecular Formula
C10H18BN3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=NN2C)N
InChI
InChI=1S/C10H18BN3O2/c1-9(2)10(3,4)16-11(15-9)8-7(12)6-13-14(8)5/h6H,12H2,1-5H3
InChIKey
SUVRKSSGOYRYAA-UHFFFAOYSA-N
Compound name
1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

223.1492 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.15648 143.9
[M+Na]+ 246.13842 154.4
[M-H]- 222.14192 150.1
[M+NH4]+ 241.18302 164.7
[M+K]+ 262.11236 154.8
[M+H-H2O]+ 206.14646 139.1
[M+HCOO]- 268.14740 164.4
[M+CH3COO]- 282.16305 191.2
[M+Na-2H]- 244.12387 147.8
[M]+ 223.14865 146.4
[M]- 223.14975 146.4
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