CID 115899

Choline, chloride, ethylcarbamate

Structural Information

Molecular Formula
C8H19N2O2
SMILES
CCNC(=O)OCC[N+](C)(C)C
InChI
InChI=1S/C8H18N2O2/c1-5-9-8(11)12-7-6-10(2,3)4/h5-7H2,1-4H3/p+1
InChIKey
HAISCDVAZGGGIJ-UHFFFAOYSA-O
Compound name
2-(ethylcarbamoyloxy)ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.14465 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.15193 137.2
[M+Na]+ 198.13387 142.9
[M-H]- 174.13737 139.1
[M+NH4]+ 193.17847 157.8
[M+K]+ 214.10781 138.5
[M+H-H2O]+ 158.14191 134.9
[M+HCOO]- 220.14285 161.7
[M+CH3COO]- 234.15850 181.4
[M+Na-2H]- 196.11932 146.2
[M]+ 175.14410 138.6
[M]- 175.14520 138.6
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.