CID 3043128

73202-64-9

Structural Information

Molecular Formula
C12H24NO4
SMILES
CCCC(=O)OC(C)C(=O)OCC[N+](C)(C)C
InChI
InChI=1S/C12H24NO4/c1-6-7-11(14)17-10(2)12(15)16-9-8-13(3,4)5/h10H,6-9H2,1-5H3/q+1
InChIKey
WYDATEOVRNOZSA-UHFFFAOYSA-N
Compound name
2-(2-butanoyloxypropanoyloxy)ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.17053 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.17781 156.5
[M+Na]+ 269.15975 161.2
[M-H]- 245.16325 158.0
[M+NH4]+ 264.20435 174.4
[M+K]+ 285.13369 157.1
[M+H-H2O]+ 229.16779 153.9
[M+HCOO]- 291.16873 177.4
[M+CH3COO]- 305.18438 193.0
[M+Na-2H]- 267.14520 161.1
[M]+ 246.16998 161.1
[M]- 246.17108 161.1
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.