CID 3073573

Ethyl 2-(cyanoimino)-1-pyrrolidineacetate

Structural Information

Molecular Formula

C₉H₁₃N₃O₂

SMILES

CCOC(=O)CN1CCCC1=NC#N

InChI

InChI=1S/C9H13N3O2/c1-2-14-9(13)6-12-5-3-4-8(12)11-7-10/h2-6H2,1H3

InChIKey

HPYCSSKGXITAHU-UHFFFAOYSA-N

Compound name

ethyl 2-(2-cyanoiminopyrrolidin-1-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 195.10077 Da
Monoisotopic Mass: 0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	196.108046	140.9
[M+Na]+	218.089988	148.7
[M-H]-	194.093494	143.4
[M+NH4]+	213.134593	158.7
[M+K]+	234.063928	147.5
[M+H-H2O]+	178.098030	127.0
[M+HCOO]-	240.098971	160.5
[M+CH3COO]-	254.114621	198.2
[M+Na-2H]-	216.075436	143.8
[M]+	195.10022142	136.0
[M]-	195.10131858	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe