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]+ 190.16759 141.9
[M+Na]+ 212.14953 147.2
[M-H]- 188.15303 143.7
[M+NH4]+ 207.19413 162.0
[M+K]+ 228.12347 142.6
[M+H-H2O]+ 172.15757 139.5
[M+HCOO]- 234.15851 166.1
[M+CH3COO]- 248.17416 184.4
[M+Na-2H]- 210.13498 150.4
[M]+ 189.15976 143.7
[M]- 189.16086 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.