CID 132597985

1809027-00-6

Structural Information

Molecular Formula
C13H25BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/CC(C)(C)C
InChI
InChI=1S/C13H25BO2/c1-11(2,3)9-8-10-14-15-12(4,5)13(6,7)16-14/h8,10H,9H2,1-7H3/b10-8+
InChIKey
LEEWEPVDGUQULP-CSKARUKUSA-N
Compound name
2-[(E)-4,4-dimethylpent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.19476 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.20204 147.8
[M+Na]+ 247.18398 155.7
[M-H]- 223.18748 152.8
[M+NH4]+ 242.22858 170.2
[M+K]+ 263.15792 156.5
[M+H-H2O]+ 207.19202 145.8
[M+HCOO]- 269.19296 166.0
[M+CH3COO]- 283.20861 190.6
[M+Na-2H]- 245.16943 154.3
[M]+ 224.19421 151.7
[M]- 224.19531 151.7
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.