CID 5354270

Tetrahydrofurfuryl oleate

Structural Information

Molecular Formula
C23H42O3
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCC1CCCO1
InChI
InChI=1S/C23H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23(24)26-21-22-18-17-20-25-22/h9-10,22H,2-8,11-21H2,1H3/b10-9-
InChIKey
GIPDEPRRXIBGNF-KTKRTIGZSA-N
Compound name
oxolan-2-ylmethyl (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3866
Patents

366.3134 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.32068 202.6
[M+Na]+ 389.30262 202.3
[M-H]- 365.30612 203.3
[M+NH4]+ 384.34722 215.2
[M+K]+ 405.27656 199.1
[M+H-H2O]+ 349.31066 194.7
[M+HCOO]- 411.31160 219.3
[M+CH3COO]- 425.32725 217.8
[M+Na-2H]- 387.28807 198.7
[M]+ 366.31285 208.1
[M]- 366.31395 208.1
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