CID 11971110

1-pyrrolidineethanimidamide, 2-oxo-, monohydrochloride, hydrate

Structural Information

Molecular Formula

C₆H₁₁N₃O

SMILES

C1CC(=O)N(C1)CC(=N)N

InChI

InChI=1S/C6H11N3O/c7-5(8)4-9-3-1-2-6(9)10/h1-4H2,(H3,7,8)

InChIKey

BMHYWTFRHPIOQM-UHFFFAOYSA-N

Compound name

2-(2-oxopyrrolidin-1-yl)ethanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 141.09021 Da
Monoisotopic Mass: -1.2
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]+	142.097486	129.5
[M+Na]+	164.079428	135.4
[M-H]-	140.082934	131.0
[M+NH4]+	159.124033	150.3
[M+K]+	180.053368	134.1
[M+H-H2O]+	124.087470	122.9
[M+HCOO]-	186.088411	152.5
[M+CH3COO]-	200.104061	177.0
[M+Na-2H]-	162.064876	132.6
[M]+	141.08966142	123.7
[M]-	141.09075858	123.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe