CID 3074551

2-(cyanoimino)-n-((dimethylamino)methylene)-1-pyrrolidineacetamide

Structural Information

Molecular Formula

C₁₀H₁₅N₅O

SMILES

CN(C)C=NC(=O)CN1CCCC1=NC#N

InChI

InChI=1S/C10H15N5O/c1-14(2)8-13-10(16)6-15-5-3-4-9(15)12-7-11/h8H,3-6H2,1-2H3

InChIKey

VKUFYIMDBYELBE-UHFFFAOYSA-N

Compound name

2-(2-cyanoiminopyrrolidin-1-yl)-N-(dimethylaminomethylidene)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 221.12766 Da
Monoisotopic Mass: -0.3
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]+	222.134936	150.6
[M+Na]+	244.116878	157.0
[M-H]-	220.120384	155.2
[M+NH4]+	239.161483	167.8
[M+K]+	260.090818	156.9
[M+H-H2O]+	204.124920	135.2
[M+HCOO]-	266.125861	173.2
[M+CH3COO]-	280.141511	212.0
[M+Na-2H]-	242.102326	153.0
[M]+	221.12711142	145.3
[M]-	221.12820858	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.