CID 57508664

Tetrahydrofurfuryl ricinoleate

Structural Information

Molecular Formula
C23H42O4
SMILES
CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OCC1CCCO1)O
InChI
InChI=1S/C23H42O4/c1-2-3-4-11-15-21(24)16-12-9-7-5-6-8-10-13-18-23(25)27-20-22-17-14-19-26-22/h9,12,21-22,24H,2-8,10-11,13-20H2,1H3/b12-9-/t21-,22?/m1/s1
InChIKey
SXRAILSODLEVQJ-OLLSULERSA-N
Compound name
oxolan-2-ylmethyl (Z,12R)-12-hydroxyoctadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

49
Patents

382.30832 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.31560 206.3
[M+Na]+ 405.29754 205.1
[M-H]- 381.30104 205.7
[M+NH4]+ 400.34214 217.3
[M+K]+ 421.27148 202.1
[M+H-H2O]+ 365.30558 198.5
[M+HCOO]- 427.30652 220.7
[M+CH3COO]- 441.32217 218.0
[M+Na-2H]- 403.28299 200.9
[M]+ 382.30777 210.7
[M]- 382.30887 210.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe