CID 92695

Butanedioic acid, dodecenyl-, dipotassium salt

Structural Information

Molecular Formula
C16H28O4
SMILES
C=CCCCCCCCCCCC(CC(=O)O)C(=O)O
InChI
InChI=1S/C16H28O4/c1-2-3-4-5-6-7-8-9-10-11-12-14(16(19)20)13-15(17)18/h2,14H,1,3-13H2,(H,17,18)(H,19,20)
InChIKey
VZAGGELCBOWVOG-UHFFFAOYSA-N
Compound name
2-dodec-11-enylbutanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

284.19876 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.206036 173.9
[M+Na]+ 307.187978 176.2
[M-H]- 283.191484 169.7
[M+NH4]+ 302.232583 188.0
[M+K]+ 323.161918 173.1
[M+H-H2O]+ 267.196020 167.8
[M+HCOO]- 329.196961 189.9
[M+CH3COO]- 343.212611 199.8
[M+Na-2H]- 305.173426 170.9
[M]+ 284.19821142 176.9
[M]- 284.19930858 176.9
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

patents stripe