CID 15486609

1-cycloheptenylboronic acid pinacol ester

Structural Information

Molecular Formula
C13H23BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCCCCC2
InChI
InChI=1S/C13H23BO2/c1-12(2)13(3,4)16-14(15-12)11-9-7-5-6-8-10-11/h9H,5-8,10H2,1-4H3
InChIKey
XCKJXFSLFZYWSB-UHFFFAOYSA-N
Compound name
2-(cyclohepten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

222.17911 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.18639 145.1
[M+Na]+ 245.16833 149.6
[M-H]- 221.17183 153.4
[M+NH4]+ 240.21293 165.0
[M+K]+ 261.14227 152.4
[M+H-H2O]+ 205.17637 140.6
[M+HCOO]- 267.17731 162.3
[M+CH3COO]- 281.19296 189.9
[M+Na-2H]- 243.15378 149.5
[M]+ 222.17856 141.3
[M]- 222.17966 141.3
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