CID 30908

(2-carboxyethyl)dimethylethylammonium iodide ethyl ester

Structural Information

Molecular Formula
C9H20NO2
SMILES
CC[N+](C)(C)CCC(=O)OCC
InChI
InChI=1S/C9H20NO2/c1-5-10(3,4)8-7-9(11)12-6-2/h5-8H2,1-4H3/q+1
InChIKey
DMIJNJYUBQVBCB-UHFFFAOYSA-N
Compound name
(3-ethoxy-3-oxopropyl)-ethyl-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.1494 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.15668 138.3
[M+Na]+ 197.13862 144.5
[M-H]- 173.14212 140.2
[M+NH4]+ 192.18322 159.4
[M+K]+ 213.11256 139.9
[M+H-H2O]+ 157.14666 136.5
[M+HCOO]- 219.14760 161.5
[M+CH3COO]- 233.16325 180.4
[M+Na-2H]- 195.12407 146.6
[M]+ 174.14885 141.1
[M]- 174.14995 141.1
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.