CID 55301244

(2-chloroethyl)(cyano)ethylamine

Structural Information

Molecular Formula
C5H9ClN2
SMILES
CCN(CCCl)C#N
InChI
InChI=1S/C5H9ClN2/c1-2-8(5-7)4-3-6/h2-4H2,1H3
InChIKey
FOIWTYLLDUEXJN-UHFFFAOYSA-N
Compound name
2-chloroethyl(ethyl)cyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

132.04543 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.05271 124.3
[M+Na]+ 155.03465 133.9
[M-H]- 131.03815 126.4
[M+NH4]+ 150.07925 145.4
[M+K]+ 171.00859 132.7
[M+H-H2O]+ 115.04269 113.9
[M+HCOO]- 177.04363 142.3
[M+CH3COO]- 191.05928 190.3
[M+Na-2H]- 153.02010 130.9
[M]+ 132.04488 122.3
[M]- 132.04598 122.3
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

patents stripe