CID 53481670

Chebi:177713

Structural Information

Molecular Formula
C17H30NO4
SMILES
CCCCC/C=C\C=C\C(=O)O[C@@H](CCC(=O)O)[N+](C)(C)C
InChI
InChI=1S/C17H29NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(18(2,3)4)13-14-16(19)20/h9-12,15H,5-8,13-14H2,1-4H3/p+1/b10-9-,12-11+/t15-/m0/s1
InChIKey
GDMITEPIMYKPHX-USKNYQQNSA-O
Compound name
[(1S)-3-carboxy-1-[(2E,4Z)-deca-2,4-dienoyl]oxypropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.21747 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.22475 177.4
[M+Na]+ 335.20669 180.3
[M-H]- 311.21019 176.6
[M+NH4]+ 330.25129 193.4
[M+K]+ 351.18063 172.9
[M+H-H2O]+ 295.21473 174.4
[M+HCOO]- 357.21567 203.4
[M+CH3COO]- 371.23132 202.5
[M+Na-2H]- 333.19214 179.1
[M]+ 312.21692 180.5
[M]- 312.21802 180.5
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.