CID 3034717

Tetrapropenylsuccinic acid, 1,2-propanediol half eser

Structural Information

Molecular Formula
C19H34O5
SMILES
CCCC(CCC)(C(=O)OCC(C)O)C(CCC)(CC=C)C(=O)O
InChI
InChI=1S/C19H34O5/c1-6-10-18(11-7-2,16(21)22)19(12-8-3,13-9-4)17(23)24-14-15(5)20/h6,15,20H,1,7-14H2,2-5H3,(H,21,22)
InChIKey
FQZSBGCKPCCCPZ-UHFFFAOYSA-N
Compound name
3-(2-hydroxypropoxycarbonyl)-2-prop-2-enyl-2,3-dipropylhexanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

342.24063 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.24791 186.8
[M+Na]+ 365.22985 188.7
[M-H]- 341.23335 182.7
[M+NH4]+ 360.27445 185.5
[M+K]+ 381.20379 186.7
[M+H-H2O]+ 325.23789 181.7
[M+HCOO]- 387.23883 191.6
[M+CH3COO]- 401.25448 210.8
[M+Na-2H]- 363.21530 184.9
[M]+ 342.24008 191.4
[M]- 342.24118 191.4
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