CID 29404

19075-26-4

Structural Information

Molecular Formula
C8H18NO2
SMILES
CCOC(=O)CC[N+](C)(C)C
InChI
InChI=1S/C8H18NO2/c1-5-11-8(10)6-7-9(2,3)4/h5-7H2,1-4H3/q+1
InChIKey
GFOTVLJTGNVXNS-UHFFFAOYSA-N
Compound name
(3-ethoxy-3-oxopropyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

160.13376 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.141036 133.5
[M+Na]+ 183.122978 140.1
[M-H]- 159.126484 135.6
[M+NH4]+ 178.167583 155.1
[M+K]+ 199.096918 135.8
[M+H-H2O]+ 143.131020 131.8
[M+HCOO]- 205.131961 157.0
[M+CH3COO]- 219.147611 177.4
[M+Na-2H]- 181.108426 142.3
[M]+ 160.13321142 135.9
[M]- 160.13430858 135.9
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

patents stripe