CID 21189

Iodocholine

Structural Information

Molecular Formula
C5H13IN
SMILES
C[N+](C)(C)CCI
InChI
InChI=1S/C5H13IN/c1-7(2,3)5-4-6/h4-5H2,1-3H3/q+1
InChIKey
NWKKUJPMZHQVOB-UHFFFAOYSA-N
Compound name
2-iodoethyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

60
Patents

214.00928 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.01656 132.1
[M+Na]+ 236.99850 132.6
[M-H]- 213.00200 127.7
[M+NH4]+ 232.04310 150.7
[M+K]+ 252.97244 134.0
[M+H-H2O]+ 197.00654 127.2
[M+HCOO]- 259.00748 151.3
[M+CH3COO]- 273.02313 177.8
[M+Na-2H]- 234.98395 130.2
[M]+ 214.00873 129.6
[M]- 214.00983 129.6
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