CID 45431

1-(2-chloroethyl)-1-ethylaziridinium

Structural Information

Molecular Formula
C6H13ClN
SMILES
CC[N+]1(CC1)CCCl
InChI
InChI=1S/C6H13ClN/c1-2-8(4-3-7)5-6-8/h2-6H2,1H3/q+1
InChIKey
DSRFMKWOQKHUAB-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-1-ethylaziridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

134.07365 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.08093 119.0
[M+Na]+ 157.06287 129.0
[M-H]- 133.06637 122.3
[M+NH4]+ 152.10747 137.5
[M+K]+ 173.03681 121.8
[M+H-H2O]+ 117.07091 117.3
[M+HCOO]- 179.07185 137.0
[M+CH3COO]- 193.08750 169.6
[M+Na-2H]- 155.04832 129.8
[M]+ 134.07310 121.7
[M]- 134.07420 121.7
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.