CID 166000398

En300-39856509

Structural Information

Molecular Formula
C13H25BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2CC(OC(C2)C)C
InChI
InChI=1S/C13H25BO3/c1-9-7-11(8-10(2)15-9)14-16-12(3,4)13(5,6)17-14/h9-11H,7-8H2,1-6H3
InChIKey
PFFYAILGDFMPNZ-UHFFFAOYSA-N
Compound name
2-(2,6-dimethyloxan-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.18968 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.19696 151.3
[M+Na]+ 263.17890 158.7
[M-H]- 239.18240 159.9
[M+NH4]+ 258.22350 171.4
[M+K]+ 279.15284 160.9
[M+H-H2O]+ 223.18694 148.0
[M+HCOO]- 285.18788 167.1
[M+CH3COO]- 299.20353 193.8
[M+Na-2H]- 261.16435 155.3
[M]+ 240.18913 152.6
[M]- 240.19023 152.6
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.