CID 53141

74886-58-1

Structural Information

Molecular Formula
C7H17INO
SMILES
C[N+](C)(C)CCOCCI
InChI
InChI=1S/C7H17INO/c1-9(2,3)5-7-10-6-4-8/h4-7H2,1-3H3/q+1
InChIKey
DHXANSVTUWPTCK-UHFFFAOYSA-N
Compound name
2-(2-iodoethoxy)ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17
Patents

258.0355 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.04278 147.0
[M+Na]+ 281.02472 146.6
[M-H]- 257.02822 142.2
[M+NH4]+ 276.06932 163.9
[M+K]+ 296.99866 147.8
[M+H-H2O]+ 241.03276 141.3
[M+HCOO]- 303.03370 165.7
[M+CH3COO]- 317.04935 185.3
[M+Na-2H]- 279.01017 143.8
[M]+ 258.03495 146.4
[M]- 258.03605 146.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe