CID 165456335

4,4,5,5-tetramethyl-2-[(3-methylcyclopentylidene)methyl]-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C13H23BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C\2/CCC(C2)C
InChI
InChI=1S/C13H23BO2/c1-10-6-7-11(8-10)9-14-15-12(2,3)13(4,5)16-14/h9-10H,6-8H2,1-5H3/b11-9-
InChIKey
DIBJMJZPMOTRLV-LUAWRHEFSA-N
Compound name
4,4,5,5-tetramethyl-2-[(Z)-(3-methylcyclopentylidene)methyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.17911 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.18639 147.6
[M+Na]+ 245.16833 155.2
[M-H]- 221.17183 155.6
[M+NH4]+ 240.21293 171.4
[M+K]+ 261.14227 155.1
[M+H-H2O]+ 205.17637 145.0
[M+HCOO]- 267.17731 166.6
[M+CH3COO]- 281.19296 188.6
[M+Na-2H]- 243.15378 150.1
[M]+ 222.17856 147.7
[M]- 222.17966 147.7
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

No patent data available for this compound.