CID 49758209

1310384-97-4

Structural Information

Molecular Formula
C10H13BN2O2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CSC(=N2)C#N
InChI
InChI=1S/C10H13BN2O2S/c1-9(2)10(3,4)15-11(14-9)7-6-16-8(5-12)13-7/h6H,1-4H3
InChIKey
PGLGSUYGJOCIJL-UHFFFAOYSA-N
Compound name
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.07909 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.08637 144.4
[M+Na]+ 259.06831 158.0
[M-H]- 235.07181 151.5
[M+NH4]+ 254.11291 164.9
[M+K]+ 275.04225 156.1
[M+H-H2O]+ 219.07635 134.0
[M+HCOO]- 281.07729 158.2
[M+CH3COO]- 295.09294 157.7
[M+Na-2H]- 257.05376 147.4
[M]+ 236.07854 144.8
[M]- 236.07964 144.8
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.