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]+ 261.193476 161.3
[M+Na]+ 283.175418 165.7
[M-H]- 259.178924 162.6
[M+NH4]+ 278.220023 178.6
[M+K]+ 299.149358 161.3
[M+H-H2O]+ 243.183460 158.6
[M+HCOO]- 305.184401 181.9
[M+CH3COO]- 319.200051 196.0
[M+Na-2H]- 281.160866 165.4
[M]+ 260.18565142 166.3
[M]- 260.18674858 166.3
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.