CID 45792282

Ethyl 2-[(2-cyanoethyl)(cyclopropyl)amino]acetate

Structural Information

Molecular Formula
C10H16N2O2
SMILES
CCOC(=O)CN(CCC#N)C1CC1
InChI
InChI=1S/C10H16N2O2/c1-2-14-10(13)8-12(7-3-6-11)9-4-5-9/h9H,2-5,7-8H2,1H3
InChIKey
ZDRPMNISRPOWRB-UHFFFAOYSA-N
Compound name
ethyl 2-[2-cyanoethyl(cyclopropyl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.12119 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.12847 140.4
[M+Na]+ 219.11041 153.2
[M-H]- 195.11391 147.3
[M+NH4]+ 214.15501 155.6
[M+K]+ 235.08435 149.3
[M+H-H2O]+ 179.11845 130.1
[M+HCOO]- 241.11939 162.7
[M+CH3COO]- 255.13504 204.1
[M+Na-2H]- 217.09586 146.1
[M]+ 196.12064 142.6
[M]- 196.12174 142.6
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.