CID 93633136

2580096-19-9

Structural Information

Molecular Formula

C₇H₁₆N₂

SMILES

C[C@H]1CCN(C1)CCN

InChI

InChI=1S/C7H16N2/c1-7-2-4-9(6-7)5-3-8/h7H,2-6,8H2,1H3/t7-/m0/s1

InChIKey

DXDQFNSYQQZGCG-ZETCQYMHSA-N

Compound name

2-[(3S)-3-methylpyrrolidin-1-yl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 128.13135 Da
Monoisotopic Mass: 0.2
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]+	129.13863	129.4
[M+Na]+	151.12057	135.5
[M-H]-	127.12407	130.6
[M+NH4]+	146.16517	151.5
[M+K]+	167.09451	134.4
[M+H-H2O]+	111.12861	123.1
[M+HCOO]-	173.12955	151.4
[M+CH3COO]-	187.14520	174.0
[M+Na-2H]-	149.10602	132.8
[M]+	128.13080	125.4
[M]-	128.13190	125.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe