CID 6436064

2-butoxyethyl oleate

Structural Information

Molecular Formula
C24H46O3
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCCOCCCC
InChI
InChI=1S/C24H46O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(25)27-23-22-26-21-6-4-2/h12-13H,3-11,14-23H2,1-2H3/b13-12-
InChIKey
LBUOSVPOVIEPLJ-SEYXRHQNSA-N
Compound name
2-butoxyethyl (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

443
Patents

382.3447 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.35198 207.2
[M+Na]+ 405.33392 207.3
[M-H]- 381.33742 204.1
[M+NH4]+ 400.37852 210.4
[M+K]+ 421.30786 203.1
[M+H-H2O]+ 365.34196 199.1
[M+HCOO]- 427.34290 225.1
[M+CH3COO]- 441.35855 224.6
[M+Na-2H]- 403.31937 203.5
[M]+ 382.34415 217.5
[M]- 382.34525 217.5
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