CID 101633

9-octadecenoic acid (9z)-, (tetrahydro-3-furanyl)methyl ester

Structural Information

Molecular Formula
C23H42O3
SMILES
CCCCCCCCC=CCCCCCCCC(=O)OCC1CCOC1
InChI
InChI=1S/C23H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(24)26-21-22-18-19-25-20-22/h9-10,22H,2-8,11-21H2,1H3
InChIKey
NSMHOFMBVBYNJX-UHFFFAOYSA-N
Compound name
oxolan-3-ylmethyl octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

366.3134 Da
Monoisotopic Mass

7.8
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.