CID 5354167

2-methoxyethyl acetyl ricinoleate

Structural Information

Molecular Formula
C23H42O5
SMILES
CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OCCOC)OC(=O)C
InChI
InChI=1S/C23H42O5/c1-4-5-6-13-16-22(28-21(2)24)17-14-11-9-7-8-10-12-15-18-23(25)27-20-19-26-3/h11,14,22H,4-10,12-13,15-20H2,1-3H3/b14-11-/t22-/m1/s1
InChIKey
BJJRVZBBFAXWGR-QOYCNBSOSA-N
Compound name
2-methoxyethyl (Z,12R)-12-acetyloxyoctadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

398.30322 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.31050 207.6
[M+Na]+ 421.29244 208.1
[M-H]- 397.29594 200.7
[M+NH4]+ 416.33704 213.7
[M+K]+ 437.26638 205.6
[M+H-H2O]+ 381.30048 199.8
[M+HCOO]- 443.30142 218.2
[M+CH3COO]- 457.31707 225.4
[M+Na-2H]- 419.27789 202.3
[M]+ 398.30267 210.4
[M]- 398.30377 210.4
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