CID 47935

2-acetamidoethyldimethylethylammonium iodide

Structural Information

Molecular Formula
C8H19N2O
SMILES
CC[N+](C)(C)CCNC(=O)C
InChI
InChI=1S/C8H18N2O/c1-5-10(3,4)7-6-9-8(2)11/h5-7H2,1-4H3/p+1
InChIKey
XISWVVQAYPXALU-UHFFFAOYSA-O
Compound name
2-acetamidoethyl-ethyl-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.14973 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.15701 133.8
[M+Na]+ 182.13895 139.5
[M-H]- 158.14245 135.8
[M+NH4]+ 177.18355 155.1
[M+K]+ 198.11289 134.7
[M+H-H2O]+ 142.14699 131.8
[M+HCOO]- 204.14793 158.0
[M+CH3COO]- 218.16358 180.1
[M+Na-2H]- 180.12440 142.8
[M]+ 159.14918 133.9
[M]- 159.15028 133.9
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

No patent data available for this compound.