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]+ 151.07585 121.9
[M+Na]+ 173.05779 131.6
[M-H]- 149.06129 123.9
[M+NH4]+ 168.10239 139.1
[M+K]+ 189.03173 123.5
[M+H-H2O]+ 133.06583 120.5
[M+HCOO]- 195.06677 138.7
[M+CH3COO]- 209.08242 168.6
[M+Na-2H]- 171.04324 132.3
[M]+ 150.06802 124.3
[M]- 150.06912 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.