CID 135480741

N-(2-cyanoethyl)-5-(ethylamino)-3,4-dihydro-2h-pyrrole-2-carboxamide

Structural Information

Molecular Formula
C10H16N4O
SMILES
CCN=C1CCC(N1)C(=O)NCCC#N
InChI
InChI=1S/C10H16N4O/c1-2-12-9-5-4-8(14-9)10(15)13-7-3-6-11/h8H,2-5,7H2,1H3,(H,12,14)(H,13,15)
InChIKey
ZAZVPROPVUOTHC-UHFFFAOYSA-N
Compound name
N-(2-cyanoethyl)-5-ethyliminopyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

208.13242 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.13970 148.2
[M+Na]+ 231.12164 154.4
[M-H]- 207.12514 149.2
[M+NH4]+ 226.16624 164.6
[M+K]+ 247.09558 152.0
[M+H-H2O]+ 191.12968 134.0
[M+HCOO]- 253.13062 166.8
[M+CH3COO]- 267.14627 201.2
[M+Na-2H]- 229.10709 150.2
[M]+ 208.13187 139.9
[M]- 208.13297 139.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.