CID 115909

Choline, iodide, piperidinocarbamate

Structural Information

Molecular Formula
C11H24N3O2
SMILES
C[N+](C)(C)CCOC(=O)NN1CCCCC1
InChI
InChI=1S/C11H23N3O2/c1-14(2,3)9-10-16-11(15)12-13-7-5-4-6-8-13/h4-10H2,1-3H3/p+1
InChIKey
RHFHILMFVGCCSV-UHFFFAOYSA-O
Compound name
trimethyl-[2-(piperidin-1-ylcarbamoyloxy)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.18686 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.19414 152.1
[M+Na]+ 253.17608 154.7
[M-H]- 229.17958 154.6
[M+NH4]+ 248.22068 168.6
[M+K]+ 269.15002 149.3
[M+H-H2O]+ 213.18412 147.6
[M+HCOO]- 275.18506 171.6
[M+CH3COO]- 289.20071 189.5
[M+Na-2H]- 251.16153 159.8
[M]+ 230.18631 148.5
[M]- 230.18741 148.5
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.