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]+ 209.139696 148.2
[M+Na]+ 231.121638 154.4
[M-H]- 207.125144 149.2
[M+NH4]+ 226.166243 164.6
[M+K]+ 247.095578 152.0
[M+H-H2O]+ 191.129680 134.0
[M+HCOO]- 253.130621 166.8
[M+CH3COO]- 267.146271 201.2
[M+Na-2H]- 229.107086 150.2
[M]+ 208.13187142 139.9
[M]- 208.13296858 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.