CID 642691

2-[(e)-2-[(4s)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C13H23BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/[C@H]2COC(O2)(C)C
InChI
InChI=1S/C13H23BO4/c1-11(2)12(3,4)18-14(17-11)8-7-10-9-15-13(5,6)16-10/h7-8,10H,9H2,1-6H3/b8-7+/t10-/m0/s1
InChIKey
AJGOHCYZSYGWEN-JARNTUPDSA-N
Compound name
2-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

254.16895 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.176226 148.8
[M+Na]+ 277.158168 157.3
[M-H]- 253.161674 158.1
[M+NH4]+ 272.202773 170.4
[M+K]+ 293.132108 160.2
[M+H-H2O]+ 237.166210 148.2
[M+HCOO]- 299.167151 166.1
[M+CH3COO]- 313.182801 193.7
[M+Na-2H]- 275.143616 155.0
[M]+ 254.16840142 153.7
[M]- 254.16949858 153.7
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