CID 45414

Ethylcholine aziridinium

Structural Information

Molecular Formula
C6H14NO
SMILES
CC[N+]1(CC1)CCO
InChI
InChI=1S/C6H14NO/c1-2-7(3-4-7)5-6-8/h8H,2-6H2,1H3/q+1
InChIKey
LZDYZEGISBDSDP-UHFFFAOYSA-N
Compound name
2-(1-ethylaziridin-1-ium-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

292
References

5550
Patents

116.10754 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.11482 122.3
[M+Na]+ 139.09676 136.6
[M+NH4]+ 134.14136 133.7
[M+K]+ 155.07070 131.1
[M-H]- 115.10026 131.3
[M+Na-2H]- 137.08221 132.6
[M]+ 116.10699 128.4
[M]- 116.10809 128.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe