CID 130055568

1449522-51-3

Structural Information

Molecular Formula
C14H23BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(CCCC2)C(=O)OC
InChI
InChI=1S/C14H23BO4/c1-13(2)14(3,4)19-15(18-13)11-9-7-6-8-10(11)12(16)17-5/h6-9H2,1-5H3
InChIKey
MTRUKXSEUJSVMO-UHFFFAOYSA-N
Compound name
methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

266.16895 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.17623 157.0
[M+Na]+ 289.15817 164.0
[M-H]- 265.16167 165.0
[M+NH4]+ 284.20277 177.1
[M+K]+ 305.13211 165.4
[M+H-H2O]+ 249.16621 153.1
[M+HCOO]- 311.16715 174.4
[M+CH3COO]- 325.18280 196.4
[M+Na-2H]- 287.14362 160.2
[M]+ 266.16840 159.2
[M]- 266.16950 159.2
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

patents stripe