CID 135480742

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

Structural Information

Molecular Formula
C11H18N4O
SMILES
CCCN=C1CCC(N1)C(=O)NCCC#N
InChI
InChI=1S/C11H18N4O/c1-2-7-13-10-5-4-9(15-10)11(16)14-8-3-6-12/h9H,2-5,7-8H2,1H3,(H,13,15)(H,14,16)
InChIKey
MBKIZLKOQNMIIA-UHFFFAOYSA-N
Compound name
N-(2-cyanoethyl)-5-propyliminopyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

222.14806 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.15534 152.0
[M+Na]+ 245.13728 157.8
[M-H]- 221.14078 152.8
[M+NH4]+ 240.18188 167.8
[M+K]+ 261.11122 155.2
[M+H-H2O]+ 205.14532 137.6
[M+HCOO]- 267.14626 170.3
[M+CH3COO]- 281.16191 203.9
[M+Na-2H]- 243.12273 153.6
[M]+ 222.14751 144.0
[M]- 222.14861 144.0
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.