CID 57214506

Pyrrolidine-3-carboximidamide hydrochloride

Structural Information

Molecular Formula

C₅H₁₁N₃

SMILES

C1CNCC1C(=N)N

InChI

InChI=1S/C5H11N3/c6-5(7)4-1-2-8-3-4/h4,8H,1-3H2,(H3,6,7)

InChIKey

LTIGEFPDXPAKGL-UHFFFAOYSA-N

Compound name

pyrrolidine-3-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 113.0953 Da
Monoisotopic Mass: -1.1
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]+	114.102576	123.9
[M+Na]+	136.084518	128.6
[M-H]-	112.088024	123.8
[M+NH4]+	131.129123	144.9
[M+K]+	152.058458	126.9
[M+H-H2O]+	96.092560	117.4
[M+HCOO]-	158.093501	145.2
[M+CH3COO]-	172.109151	169.1
[M+Na-2H]-	134.069966	127.7
[M]+	113.09475142	114.8
[M]-	113.09584858	114.8

Literature stripe

literature stripe

Patent stripe

patents stripe