CID 44145810

Oleyl borate

Structural Information

Molecular Formula
C18H37BO3
SMILES
B(O)(O)OCCCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C18H37BO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19(20)21/h9-10,20-21H,2-8,11-18H2,1H3/b10-9-
InChIKey
LJOUMIFRRRQONS-KTKRTIGZSA-N
Compound name
[(Z)-octadec-9-enoxy]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

312.28357 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.29085 185.3
[M+Na]+ 335.27279 186.3
[M-H]- 311.27629 180.3
[M+NH4]+ 330.31739 198.7
[M+K]+ 351.24673 182.3
[M+H-H2O]+ 295.28083 178.5
[M+HCOO]- 357.28177 201.8
[M+CH3COO]- 371.29742 205.5
[M+Na-2H]- 333.25824 183.3
[M]+ 312.28302 190.5
[M]- 312.28412 190.5
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

patents stripe