CID 47156

Aziridinium, 1-(2-chloroethyl)-1-(2-hydroxyethyl)-, chloride

Structural Information

Molecular Formula
C6H13ClNO
SMILES
C1C[N+]1(CCO)CCCl
InChI
InChI=1S/C6H13ClNO/c7-1-2-8(3-4-8)5-6-9/h9H,1-6H2/q+1
InChIKey
DLJAEWOKYGDLHW-UHFFFAOYSA-N
Compound name
2-[1-(2-chloroethyl)aziridin-1-ium-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.06857 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.075846 121.9
[M+Na]+ 173.057788 131.6
[M-H]- 149.061294 123.9
[M+NH4]+ 168.102393 139.1
[M+K]+ 189.031728 123.5
[M+H-H2O]+ 133.065830 120.5
[M+HCOO]- 195.066771 138.7
[M+CH3COO]- 209.082421 168.6
[M+Na-2H]- 171.043236 132.3
[M]+ 150.06802142 124.3
[M]- 150.06911858 124.3
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.