CID 5370584

Bis(6-methylheptyl) maleate

Structural Information

Molecular Formula
C20H36O4
SMILES
CC(C)CCCCCOC(=O)/C=C\C(=O)OCCCCCC(C)C
InChI
InChI=1S/C20H36O4/c1-17(2)11-7-5-9-15-23-19(21)13-14-20(22)24-16-10-6-8-12-18(3)4/h13-14,17-18H,5-12,15-16H2,1-4H3/b14-13-
InChIKey
QIGLLCHDIZAZFE-YPKPFQOOSA-N
Compound name
bis(6-methylheptyl) (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

426
Patents

340.26135 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.26863 188.9
[M+Na]+ 363.25057 194.6
[M+NH4]+ 358.29517 202.0
[M+K]+ 379.22451 189.5
[M-H]- 339.25407 185.2
[M+Na-2H]- 361.23602 186.9
[M]+ 340.26080 188.1
[M]- 340.26190 188.1
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