CID 14574409

[3-carboxy-2-(4-phenylbutanoyloxy)propyl]-trimethylazanium

Structural Information

Molecular Formula
C17H26NO4
SMILES
C[N+](C)(C)CC(CC(=O)O)OC(=O)CCCC1=CC=CC=C1
InChI
InChI=1S/C17H25NO4/c1-18(2,3)13-15(12-16(19)20)22-17(21)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3/p+1
InChIKey
AEOYRSISBCASMX-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(4-phenylbutanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1862 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.19348 172.0
[M+Na]+ 331.17542 182.2
[M+NH4]+ 326.22002 178.3
[M+K]+ 347.14936 178.6
[M-H]- 307.17892 173.5
[M+Na-2H]- 329.16087 176.5
[M]+ 308.18565 173.9
[M]- 308.18675 173.9
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.