CID 115911

Choline, iodide, propylcarbamate

Structural Information

Molecular Formula
C9H21N2O2
SMILES
CCCNC(=O)OCC[N+](C)(C)C
InChI
InChI=1S/C9H20N2O2/c1-5-6-10-9(12)13-8-7-11(2,3)4/h5-8H2,1-4H3/p+1
InChIKey
WCLYWXMGPVTXNK-UHFFFAOYSA-O
Compound name
trimethyl-[2-(propylcarbamoyloxy)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.16031 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.167586 141.9
[M+Na]+ 212.149528 147.2
[M-H]- 188.153034 143.7
[M+NH4]+ 207.194133 162.0
[M+K]+ 228.123468 142.6
[M+H-H2O]+ 172.157570 139.5
[M+HCOO]- 234.158511 166.1
[M+CH3COO]- 248.174161 184.4
[M+Na-2H]- 210.134976 150.4
[M]+ 189.15976142 143.7
[M]- 189.16085858 143.7
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.