CID 5385377

Kapsolat

Structural Information

Molecular Formula
C21H40O3
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCCOC
InChI
InChI=1S/C21H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(22)24-20-19-23-2/h10-11H,3-9,12-20H2,1-2H3/b11-10-
InChIKey
UFARNTYYPHYLGN-KHPPLWFESA-N
Compound name
2-methoxyethyl (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

452
Patents

340.29776 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.305036 193.9
[M+Na]+ 363.286978 195.4
[M-H]- 339.290484 191.5
[M+NH4]+ 358.331583 207.6
[M+K]+ 379.260918 191.9
[M+H-H2O]+ 323.295020 186.5
[M+HCOO]- 385.295961 212.9
[M+CH3COO]- 399.311611 215.7
[M+Na-2H]- 361.272426 191.8
[M]+ 340.29721142 203.1
[M]- 340.29830858 203.1
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