CID 133635645

2223011-46-7

Structural Information

Molecular Formula
C13H22BNO3S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N=C(S2)OC)C(C)C
InChI
InChI=1S/C13H22BNO3S/c1-8(2)9-10(19-11(15-9)16-7)14-17-12(3,4)13(5,6)18-14/h8H,1-7H3
InChIKey
MGVQFMPAJDAFPZ-UHFFFAOYSA-N
Compound name
2-methoxy-4-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.14136 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.14864 157.2
[M+Na]+ 306.13058 167.2
[M-H]- 282.13408 165.1
[M+NH4]+ 301.17518 178.3
[M+K]+ 322.10452 168.2
[M+H-H2O]+ 266.13862 154.5
[M+HCOO]- 328.13956 172.2
[M+CH3COO]- 342.15521 199.6
[M+Na-2H]- 304.11603 157.4
[M]+ 283.14081 165.4
[M]- 283.14191 165.4
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

No patent data available for this compound.