CID 5708385

57404-76-9

Structural Information

Molecular Formula
C7H15BO2
SMILES
B(/C=C/CCCCC)(O)O
InChI
InChI=1S/C7H15BO2/c1-2-3-4-5-6-7-8(9)10/h6-7,9-10H,2-5H2,1H3/b7-6+
InChIKey
LDTJUGVTOZBIBN-VOTSOKGWSA-N
Compound name
[(E)-hept-1-enyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

46
Patents

142.11652 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.12380 133.0
[M+Na]+ 165.10574 138.8
[M-H]- 141.10924 130.3
[M+NH4]+ 160.15034 153.4
[M+K]+ 181.07968 137.1
[M+H-H2O]+ 125.11378 128.7
[M+HCOO]- 187.11472 153.0
[M+CH3COO]- 201.13037 170.5
[M+Na-2H]- 163.09119 136.9
[M]+ 142.11597 132.7
[M]- 142.11707 132.7
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.