CID 68546708

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

Structural Information

Molecular Formula
C11H20BN3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=NN2CC)N
InChI
InChI=1S/C11H20BN3O2/c1-6-15-9(8(13)7-14-15)12-16-10(2,3)11(4,5)17-12/h7H,6,13H2,1-5H3
InChIKey
GHKSDJGAHHBDOS-UHFFFAOYSA-N
Compound name
1-ethyl-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

237.16486 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.17214 148.4
[M+Na]+ 260.15408 158.4
[M-H]- 236.15758 154.4
[M+NH4]+ 255.19868 168.6
[M+K]+ 276.12802 158.6
[M+H-H2O]+ 220.16212 143.5
[M+HCOO]- 282.16306 168.6
[M+CH3COO]- 296.17871 194.2
[M+Na-2H]- 258.13953 151.8
[M]+ 237.16431 151.3
[M]- 237.16541 151.3
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