CID 115905

Choline, iodide, butylcarbamate

Structural Information

Molecular Formula
C10H23N2O2
SMILES
CCCCNC(=O)OCC[N+](C)(C)C
InChI
InChI=1S/C10H22N2O2/c1-5-6-7-11-10(13)14-9-8-12(2,3)4/h5-9H2,1-4H3/p+1
InChIKey
WNWLVZGBRZIFSE-UHFFFAOYSA-O
Compound name
2-(butylcarbamoyloxy)ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.17595 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.18323 146.7
[M+Na]+ 226.16517 151.6
[M-H]- 202.16867 148.3
[M+NH4]+ 221.20977 166.2
[M+K]+ 242.13911 146.6
[M+H-H2O]+ 186.17321 144.0
[M+HCOO]- 248.17415 170.5
[M+CH3COO]- 262.18980 187.5
[M+Na-2H]- 224.15062 154.7
[M]+ 203.17540 148.8
[M]- 203.17650 148.8
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.