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
2
Annotation Hits

0
References

22
Patents

398.30322 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.310496 207.6
[M+Na]+ 421.292438 208.1
[M-H]- 397.295944 200.7
[M+NH4]+ 416.337043 213.7
[M+K]+ 437.266378 205.6
[M+H-H2O]+ 381.300480 199.8
[M+HCOO]- 443.301421 218.2
[M+CH3COO]- 457.317071 225.4
[M+Na-2H]- 419.277886 202.3
[M]+ 398.30267142 210.4
[M]- 398.30376858 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