CID 11142379

13481-97-5

Structural Information

Molecular Formula
C20H36O4
SMILES
COC(=O)CCCCCCC/C=C/CCCCCCCC(=O)OC
InChI
InChI=1S/C20H36O4/c1-23-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)24-2/h3-4H,5-18H2,1-2H3/b4-3+
InChIKey
HGGLIXDRUINGBB-ONEGZZNKSA-N
Compound name
dimethyl (E)-octadec-9-enedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

501
Patents

340.26135 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.26863 191.3
[M+Na]+ 363.25057 193.2
[M-H]- 339.25407 189.2
[M+NH4]+ 358.29517 204.9
[M+K]+ 379.22451 190.4
[M+H-H2O]+ 323.25861 184.0
[M+HCOO]- 385.25955 210.1
[M+CH3COO]- 399.27520 213.9
[M+Na-2H]- 361.23602 188.6
[M]+ 340.26080 200.1
[M]- 340.26190 200.1
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