CID 87059501

Softcutol o

Structural Information

Molecular Formula
C24H46O4
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCCOCCOCC
InChI
InChI=1S/C24H46O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(25)28-23-22-27-21-20-26-4-2/h11-12H,3-10,13-23H2,1-2H3/b12-11-
InChIKey
DIYFELVJCUGJRU-QXMHVHEDSA-N
Compound name
2-(2-ethoxyethoxy)ethyl (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

631
Patents

398.3396 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.34688 209.7
[M+Na]+ 421.32882 209.8
[M-H]- 397.33232 206.6
[M+NH4]+ 416.37342 213.4
[M+K]+ 437.30276 206.1
[M+H-H2O]+ 381.33686 201.4
[M+HCOO]- 443.33780 225.6
[M+CH3COO]- 457.35345 226.4
[M+Na-2H]- 419.31427 206.1
[M]+ 398.33905 221.4
[M]- 398.34015 221.4
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