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

8
Patents

237.16486 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.172136 148.4
[M+Na]+ 260.154078 158.4
[M-H]- 236.157584 154.4
[M+NH4]+ 255.198683 168.6
[M+K]+ 276.128018 158.6
[M+H-H2O]+ 220.162120 143.5
[M+HCOO]- 282.163061 168.6
[M+CH3COO]- 296.178711 194.2
[M+Na-2H]- 258.139526 151.8
[M]+ 237.16431142 151.3
[M]- 237.16540858 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