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]+ 135.080926 119.0
[M+Na]+ 157.062868 129.0
[M-H]- 133.066374 122.3
[M+NH4]+ 152.107473 137.5
[M+K]+ 173.036808 121.8
[M+H-H2O]+ 117.070910 117.3
[M+HCOO]- 179.071851 137.0
[M+CH3COO]- 193.087501 169.6
[M+Na-2H]- 155.048316 129.8
[M]+ 134.07310142 121.7
[M]- 134.07419858 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.