CID 85397476

174090-32-5

Structural Information

Molecular Formula
C13H23BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2CC3CCC2C3
InChI
InChI=1S/C13H23BO2/c1-12(2)13(3,4)16-14(15-12)11-8-9-5-6-10(11)7-9/h9-11H,5-8H2,1-4H3
InChIKey
CNSYSSKZSIOBBT-UHFFFAOYSA-N
Compound name
2-(2-bicyclo[2.2.1]heptanyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

222.17911 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.18639 149.7
[M+Na]+ 245.16833 157.7
[M-H]- 221.17183 157.2
[M+NH4]+ 240.21293 176.6
[M+K]+ 261.14227 157.2
[M+H-H2O]+ 205.17637 148.1
[M+HCOO]- 267.17731 167.3
[M+CH3COO]- 281.19296 163.5
[M+Na-2H]- 243.15378 151.8
[M]+ 222.17856 150.6
[M]- 222.17966 150.6
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