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

2
Patents

284.19876 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.20604 173.9
[M+Na]+ 307.18798 176.2
[M-H]- 283.19148 169.7
[M+NH4]+ 302.23258 188.0
[M+K]+ 323.16192 173.1
[M+H-H2O]+ 267.19602 167.8
[M+HCOO]- 329.19696 189.9
[M+CH3COO]- 343.21261 199.8
[M+Na-2H]- 305.17343 170.9
[M]+ 284.19821 176.9
[M]- 284.19931 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

No patent data available for this compound.