CID 59238681

448211-43-6

Structural Information

Molecular Formula
C13H23BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(CCCC2)C
InChI
InChI=1S/C13H23BO2/c1-10-8-6-7-9-11(10)14-15-12(2,3)13(4,5)16-14/h6-9H2,1-5H3
InChIKey
NZTDAXQXIPAWPC-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(2-methylcyclohexen-1-yl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

222.17911 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.18639 147.2
[M+Na]+ 245.16833 154.7
[M-H]- 221.17183 155.3
[M+NH4]+ 240.21293 169.3
[M+K]+ 261.14227 155.3
[M+H-H2O]+ 205.17637 143.3
[M+HCOO]- 267.17731 165.4
[M+CH3COO]- 281.19296 189.7
[M+Na-2H]- 243.15378 151.7
[M]+ 222.17856 147.4
[M]- 222.17966 147.4
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

patents stripe