CID 3055996

73231-80-8

Structural Information

Molecular Formula
C13H26NO4
SMILES
CCCCC(=O)OC(C)C(=O)OCC[N+](C)(C)C
InChI
InChI=1S/C13H26NO4/c1-6-7-8-12(15)18-11(2)13(16)17-10-9-14(3,4)5/h11H,6-10H2,1-5H3/q+1
InChIKey
LECKWWJQCIBEIP-UHFFFAOYSA-N
Compound name
trimethyl-[2-(2-pentanoyloxypropanoyloxy)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1862 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.19348 160.5
[M+Na]+ 283.17542 169.2
[M+NH4]+ 278.22002 166.6
[M+K]+ 299.14936 166.6
[M-H]- 259.17892 159.7
[M+Na-2H]- 281.16087 162.3
[M]+ 260.18565 161.5
[M]- 260.18675 161.5
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.