CID 175448792

(3-carboxy-2-octa-2,4-dienoyloxypropyl)-trimethylazanium

Structural Information

Molecular Formula
C15H26NO4
SMILES
CCCC=CC=CC(=O)OC(CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C15H25NO4/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4/h7-10,13H,5-6,11-12H2,1-4H3/p+1
InChIKey
RHQYWOQBGNESEL-UHFFFAOYSA-O
Compound name
(3-carboxy-2-octa-2,4-dienoyloxypropyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1862 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.19348 168.0
[M+Na]+ 307.17542 171.8
[M-H]- 283.17892 167.6
[M+NH4]+ 302.22002 183.6
[M+K]+ 323.14936 164.8
[M+H-H2O]+ 267.18346 165.3
[M+HCOO]- 329.18440 186.9
[M+CH3COO]- 343.20005 196.5
[M+Na-2H]- 305.16087 170.7
[M]+ 284.18565 170.4
[M]- 284.18675 170.4
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

No patent data available for this compound.