CID 14425021

123706-53-6

Structural Information

Molecular Formula
C13H25BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)CC2CCCCC2
InChI
InChI=1S/C13H25BO2/c1-12(2)13(3,4)16-14(15-12)10-11-8-6-5-7-9-11/h11H,5-10H2,1-4H3
InChIKey
JSDLPZMWGFPYEU-UHFFFAOYSA-N
Compound name
2-(cyclohexylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

224.19476 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.20204 150.5
[M+Na]+ 247.18398 155.9
[M-H]- 223.18748 157.7
[M+NH4]+ 242.22858 172.0
[M+K]+ 263.15792 156.7
[M+H-H2O]+ 207.19202 146.1
[M+HCOO]- 269.19296 167.1
[M+CH3COO]- 283.20861 188.9
[M+Na-2H]- 245.16943 154.4
[M]+ 224.19421 148.7
[M]- 224.19531 148.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe