CID 56737695

1393823-02-3

Structural Information

Molecular Formula
C12H23BNO3S
SMILES
[B-](C1=NC=CS1)(OC(C)C)(OC(C)C)OC(C)C
InChI
InChI=1S/C12H23BNO3S/c1-9(2)15-13(16-10(3)4,17-11(5)6)12-14-7-8-18-12/h7-11H,1-6H3/q-1
InChIKey
MBNMIUVFKYCHGF-UHFFFAOYSA-N
Compound name
tri(propan-2-yloxy)-(1,3-thiazol-2-yl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.14917 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.15645 165.0
[M+Na]+ 295.13839 169.6
[M-H]- 271.14189 165.3
[M+NH4]+ 290.18299 181.6
[M+K]+ 311.11233 169.5
[M+H-H2O]+ 255.14643 160.8
[M+HCOO]- 317.14737 178.0
[M+CH3COO]- 331.16302 195.0
[M+Na-2H]- 293.12384 162.6
[M]+ 272.14862 168.9
[M]- 272.14972 168.9
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.