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]+ 237.202036 147.7
[M+Na]+ 259.183978 155.9
[M-H]- 235.187484 155.9
[M+NH4]+ 254.228583 172.9
[M+K]+ 275.157918 155.8
[M+H-H2O]+ 219.192020 145.9
[M+HCOO]- 281.192961 166.5
[M+CH3COO]- 295.208611 191.5
[M+Na-2H]- 257.169426 151.3
[M]+ 236.19421142 148.7
[M]- 236.19530858 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.