CID 137951745

4,4,5,5-tetramethyl-2-(2,5,6,7-tetrahydrooxepin-3-yl)-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C12H21BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCCCOC2
InChI
InChI=1S/C12H21BO3/c1-11(2)12(3,4)16-13(15-11)10-7-5-6-8-14-9-10/h7H,5-6,8-9H2,1-4H3
InChIKey
NSSSJHYCENRXAR-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(2,3,4,7-tetrahydrooxepin-6-yl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.15837 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.16565 143.3
[M+Na]+ 247.14759 148.1
[M-H]- 223.15109 152.3
[M+NH4]+ 242.19219 161.8
[M+K]+ 263.12153 152.5
[M+H-H2O]+ 207.15563 139.1
[M+HCOO]- 269.15657 160.0
[M+CH3COO]- 283.17222 189.4
[M+Na-2H]- 245.13304 149.1
[M]+ 224.15782 141.2
[M]- 224.15892 141.2
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.