CID 133671946

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

Structural Information

Molecular Formula
C14H25BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/2\CCC(C2)(C)C
InChI
InChI=1S/C14H25BO2/c1-12(2)8-7-11(9-12)10-15-16-13(3,4)14(5,6)17-15/h10H,7-9H2,1-6H3/b11-10+
InChIKey
OWEFYDTYUCXZCS-ZHACJKMWSA-N
Compound name
2-[(E)-(3,3-dimethylcyclopentylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.19476 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.20204 147.7
[M+Na]+ 259.18398 155.9
[M-H]- 235.18748 155.9
[M+NH4]+ 254.22858 172.9
[M+K]+ 275.15792 155.8
[M+H-H2O]+ 219.19202 145.9
[M+HCOO]- 281.19296 166.5
[M+CH3COO]- 295.20861 191.5
[M+Na-2H]- 257.16943 151.3
[M]+ 236.19421 148.7
[M]- 236.19531 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.