CID 133662414

2-(1-(2-methoxyethyl)cyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C12H23BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2(CC2)CCOC
InChI
InChI=1S/C12H23BO3/c1-10(2)11(3,4)16-13(15-10)12(6-7-12)8-9-14-5/h6-9H2,1-5H3
InChIKey
PZYDYVBBKDMKGW-UHFFFAOYSA-N
Compound name
2-[1-(2-methoxyethyl)cyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.17403 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.18131 145.3
[M+Na]+ 249.16325 155.0
[M-H]- 225.16675 154.5
[M+NH4]+ 244.20785 164.1
[M+K]+ 265.13719 157.9
[M+H-H2O]+ 209.17129 143.0
[M+HCOO]- 271.17223 163.9
[M+CH3COO]- 285.18788 192.6
[M+Na-2H]- 247.14870 152.7
[M]+ 226.17348 153.6
[M]- 226.17458 153.6
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.