CID 45786084

2096335-45-2

Structural Information

Molecular Formula
C9H15BN2O2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CSC(=N2)N
InChI
InChI=1S/C9H15BN2O2S/c1-8(2)9(3,4)14-10(13-8)6-5-15-7(11)12-6/h5H,1-4H3,(H2,11,12)
InChIKey
MBDLDSIMBVXARZ-UHFFFAOYSA-N
Compound name
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.09473 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10201 142.4
[M+Na]+ 249.08395 152.9
[M-H]- 225.08745 149.9
[M+NH4]+ 244.12855 165.0
[M+K]+ 265.05789 153.2
[M+H-H2O]+ 209.09199 139.2
[M+HCOO]- 271.09293 159.9
[M+CH3COO]- 285.10858 187.9
[M+Na-2H]- 247.06940 145.3
[M]+ 226.09418 146.2
[M]- 226.09528 146.2
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

No patent data available for this compound.