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 161.3
[M+Na]+ 283.17542 165.7
[M-H]- 259.17892 162.6
[M+NH4]+ 278.22002 178.6
[M+K]+ 299.14936 161.3
[M+H-H2O]+ 243.18346 158.6
[M+HCOO]- 305.18440 181.9
[M+CH3COO]- 319.20005 196.0
[M+Na-2H]- 281.16087 165.4
[M]+ 260.18565 166.3
[M]- 260.18675 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.