CID 167735006

2-(4-cyclopropyloxan-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C14H25BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2(CCOCC2)C3CC3
InChI
InChI=1S/C14H25BO3/c1-12(2)13(3,4)18-15(17-12)14(11-5-6-11)7-9-16-10-8-14/h11H,5-10H2,1-4H3
InChIKey
IYKQTRWCPWUCFE-UHFFFAOYSA-N
Compound name
2-(4-cyclopropyloxan-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

252.18968 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.19696 151.9
[M+Na]+ 275.17890 159.4
[M-H]- 251.18240 163.8
[M+NH4]+ 270.22350 167.7
[M+K]+ 291.15284 163.7
[M+H-H2O]+ 235.18694 148.3
[M+HCOO]- 297.18788 166.2
[M+CH3COO]- 311.20353 195.6
[M+Na-2H]- 273.16435 157.9
[M]+ 252.18913 155.0
[M]- 252.19023 155.0
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.