CID 91713304

Mumbhnaxgjwcgb-uhfffaoysa-n

Structural Information

Molecular Formula
C23H44O4
SMILES
CCCCCCCCCOC(=O)CCCCC(=O)OCC(CC)CCCC
InChI
InChI=1S/C23H44O4/c1-4-7-9-10-11-12-15-19-26-22(24)17-13-14-18-23(25)27-20-21(6-3)16-8-5-2/h21H,4-20H2,1-3H3
InChIKey
MUMBHNAXGJWCGB-UHFFFAOYSA-N
Compound name
6-O-(2-ethylhexyl) 1-O-nonyl hexanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.32397 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.331246 206.9
[M+Na]+ 407.313188 207.0
[M-H]- 383.316694 204.2
[M+NH4]+ 402.357793 212.1
[M+K]+ 423.287128 204.5
[M+H-H2O]+ 367.321230 199.1
[M+HCOO]- 429.322171 216.8
[M+CH3COO]- 443.337821 225.0
[M+Na-2H]- 405.298636 201.3
[M]+ 384.32342142 216.9
[M]- 384.32451858 216.9
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

No patent data available for this compound.