CID 88009808

Adipic acid, di(but-2-en-1-yl) ester

Structural Information

Molecular Formula
C14H22O4
SMILES
C/C=C/COC(=O)CCCCC(=O)OC/C=C/C
InChI
InChI=1S/C14H22O4/c1-3-5-11-17-13(15)9-7-8-10-14(16)18-12-6-4-2/h3-6H,7-12H2,1-2H3/b5-3+,6-4+
InChIKey
HSWVOHAPIBZKSB-GGWOSOGESA-N
Compound name
bis[(E)-but-2-enyl] hexanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

254.15181 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.159086 162.3
[M+Na]+ 277.141028 167.2
[M-H]- 253.144534 161.5
[M+NH4]+ 272.185633 179.4
[M+K]+ 293.114968 165.3
[M+H-H2O]+ 237.149070 156.4
[M+HCOO]- 299.150011 183.4
[M+CH3COO]- 313.165661 194.6
[M+Na-2H]- 275.126476 162.9
[M]+ 254.15126142 168.1
[M]- 254.15235858 168.1
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