CID 62063038

3-(aminomethyl)pyrrolidine-1-carboxamide dihydrochloride

Structural Information

Molecular Formula

C₆H₁₃N₃O

SMILES

C1CN(CC1CN)C(=O)N

InChI

InChI=1S/C6H13N3O/c7-3-5-1-2-9(4-5)6(8)10/h5H,1-4,7H2,(H2,8,10)

InChIKey

ZKZFDOOBJYSKFU-UHFFFAOYSA-N

Compound name

3-(aminomethyl)pyrrolidine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 143.10587 Da
Monoisotopic Mass: -1.4
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]+	144.113146	131.0
[M+Na]+	166.095088	136.8
[M-H]-	142.098594	132.1
[M+NH4]+	161.139693	151.7
[M+K]+	182.069028	135.8
[M+H-H2O]+	126.103130	124.4
[M+HCOO]-	188.104071	153.2
[M+CH3COO]-	202.119721	176.6
[M+Na-2H]-	164.080536	133.1
[M]+	143.10532142	124.9
[M]-	143.10641858	124.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.