CID 3056000

73231-85-3

Structural Information

Molecular Formula
C13H20NO5
SMILES
CC(C(=O)OCC[N+](C)(C)C)OC(=O)C1=CC=CO1
InChI
InChI=1S/C13H20NO5/c1-10(12(15)18-9-7-14(2,3)4)19-13(16)11-6-5-8-17-11/h5-6,8,10H,7,9H2,1-4H3/q+1
InChIKey
ZVVFMPAEPQNMNJ-UHFFFAOYSA-N
Compound name
2-[2-(furan-2-carbonyloxy)propanoyloxy]ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.13416 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.14144 160.9
[M+Na]+ 293.12338 166.0
[M-H]- 269.12688 166.5
[M+NH4]+ 288.16798 177.8
[M+K]+ 309.09732 162.5
[M+H-H2O]+ 253.13142 157.7
[M+HCOO]- 315.13236 183.0
[M+CH3COO]- 329.14801 193.5
[M+Na-2H]- 291.10883 166.8
[M]+ 270.13361 166.0
[M]- 270.13471 166.0
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.