CID 20788547

Bis(2-(2-butoxyethoxy)ethyl) butanedioate

Structural Information

Molecular Formula
C20H38O8
SMILES
CCCCOCCOCCOC(=O)CCC(=O)OCCOCCOCCCC
InChI
InChI=1S/C20H38O8/c1-3-5-9-23-11-13-25-15-17-27-19(21)7-8-20(22)28-18-16-26-14-12-24-10-6-4-2/h3-18H2,1-2H3
InChIKey
QICCAJUIJTYFGF-UHFFFAOYSA-N
Compound name
bis[2-(2-butoxyethoxy)ethyl] butanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

406.25668 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.26396 208.7
[M+Na]+ 429.24590 214.9
[M-H]- 405.24940 201.5
[M+NH4]+ 424.29050 214.1
[M+K]+ 445.21984 209.1
[M+H-H2O]+ 389.25394 192.3
[M+HCOO]- 451.25488 221.0
[M+CH3COO]- 465.27053 223.0
[M+Na-2H]- 427.23135 198.7
[M]+ 406.25613 210.8
[M]- 406.25723 210.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe