CID 45786195

1245524-04-2

Structural Information

Molecular Formula
C12H18BNO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(S2)C3CC3
InChI
InChI=1S/C12H18BNO2S/c1-11(2)12(3,4)16-13(15-11)9-7-14-10(17-9)8-5-6-8/h7-8H,5-6H2,1-4H3
InChIKey
IOJBQVWYVATTEQ-UHFFFAOYSA-N
Compound name
2-cyclopropyl-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

36
Patents

251.11513 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.12241 146.2
[M+Na]+ 274.10435 157.6
[M-H]- 250.10785 157.4
[M+NH4]+ 269.14895 163.2
[M+K]+ 290.07829 158.5
[M+H-H2O]+ 234.11239 142.9
[M+HCOO]- 296.11333 161.7
[M+CH3COO]- 310.12898 160.3
[M+Na-2H]- 272.08980 148.4
[M]+ 251.11458 154.0
[M]- 251.11568 154.0
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