CID 4186943

Triisopropoxyboroxine

Structural Information

Molecular Formula
C9H21B3O6
SMILES
B1(OB(OB(O1)OC(C)C)OC(C)C)OC(C)C
InChI
InChI=1S/C9H21B3O6/c1-7(2)13-10-16-11(14-8(3)4)18-12(17-10)15-9(5)6/h7-9H,1-6H3
InChIKey
IZEVWCPYYXBRCQ-UHFFFAOYSA-N
Compound name
2,4,6-tri(propan-2-yloxy)-1,3,5,2,4,6-trioxatriborinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

233
Patents

258.16174 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.16902 157.8
[M+Na]+ 281.15096 162.2
[M-H]- 257.15446 162.7
[M+NH4]+ 276.19556 170.8
[M+K]+ 297.12490 167.7
[M+H-H2O]+ 241.15900 151.6
[M+HCOO]- 303.15994 172.9
[M+CH3COO]- 317.17559 197.8
[M+Na-2H]- 279.13641 160.2
[M]+ 258.16119 164.0
[M]- 258.16229 164.0
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