CID 13523070

Tris(propan-2-yl)-1,3,5,2,4,6-trioxatriborinane

Structural Information

Molecular Formula
C9H21B3O3
SMILES
B1(OB(OB(O1)C(C)C)C(C)C)C(C)C
InChI
InChI=1S/C9H21B3O3/c1-7(2)10-13-11(8(3)4)15-12(14-10)9(5)6/h7-9H,1-6H3
InChIKey
GDNDSMXIASPSLH-UHFFFAOYSA-N
Compound name
2,4,6-tri(propan-2-yl)-1,3,5,2,4,6-trioxatriborinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

210.17699 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.18427 149.9
[M+Na]+ 233.16621 154.6
[M-H]- 209.16971 154.8
[M+NH4]+ 228.21081 165.1
[M+K]+ 249.14015 158.4
[M+H-H2O]+ 193.17425 144.4
[M+HCOO]- 255.17519 164.2
[M+CH3COO]- 269.19084 191.4
[M+Na-2H]- 231.15166 151.9
[M]+ 210.17644 151.6
[M]- 210.17754 151.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe