CID 16244563

1-(propan-2-yl)pyrrolidin-3-amine dihydrochloride

Structural Information

Molecular Formula

C₇H₁₆N₂

SMILES

CC(C)N1CCC(C1)N

InChI

InChI=1S/C7H16N2/c1-6(2)9-4-3-7(8)5-9/h6-7H,3-5,8H2,1-2H3

InChIKey

SYMMPPWYYXRLJX-UHFFFAOYSA-N

Compound name

1-propan-2-ylpyrrolidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 294
Patents: 128.13135 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]+	129.138626	130.1
[M+Na]+	151.120568	136.0
[M-H]-	127.124074	131.5
[M+NH4]+	146.165173	152.2
[M+K]+	167.094508	135.3
[M+H-H2O]+	111.128610	124.0
[M+HCOO]-	173.129551	151.2
[M+CH3COO]-	187.145201	174.8
[M+Na-2H]-	149.106016	132.3
[M]+	128.13080142	125.5
[M]-	128.13189858	125.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe