CID 6441996

89325-22-4

Structural Information

Molecular Formula
C21H39BO5
SMILES
B1(OCC(O1)COC(=O)CCCCCCC/C=C\CCCCCCCC)O
InChI
InChI=1S/C21H39BO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)25-18-20-19-26-22(24)27-20/h9-10,20,24H,2-8,11-19H2,1H3/b10-9-
InChIKey
XBSXRZOJVFMYRV-KTKRTIGZSA-N
Compound name
(2-hydroxy-1,3,2-dioxaborolan-4-yl)methyl (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

382.28906 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.29634 202.1
[M+Na]+ 405.27828 202.5
[M-H]- 381.28178 202.5
[M+NH4]+ 400.32288 212.2
[M+K]+ 421.25222 200.7
[M+H-H2O]+ 365.28632 194.7
[M+HCOO]- 427.28726 217.1
[M+CH3COO]- 441.30291 217.1
[M+Na-2H]- 403.26373 199.0
[M]+ 382.28851 209.1
[M]- 382.28961 209.1
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