CID 14859574

Iodocholine iodide

Structural Information

Molecular Formula
C5H13INO
SMILES
C[N+](C)(CCO)CI
InChI
InChI=1S/C5H13INO/c1-7(2,5-6)3-4-8/h8H,3-5H2,1-2H3/q+1
InChIKey
PVSYYJGWRSOEQY-UHFFFAOYSA-N
Compound name
2-hydroxyethyl-(iodomethyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

230.0042 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.01148 138.4
[M+Na]+ 252.99342 138.5
[M-H]- 228.99692 132.6
[M+NH4]+ 248.03802 155.7
[M+K]+ 268.96736 139.2
[M+H-H2O]+ 213.00146 133.4
[M+HCOO]- 275.00240 156.4
[M+CH3COO]- 289.01805 176.8
[M+Na-2H]- 250.97887 135.8
[M]+ 230.00365 135.3
[M]- 230.00475 135.3
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