CID 65479938

1803581-36-3

Structural Information

Molecular Formula

C₆H₁₀N₂

SMILES

C1CC1(CC#N)CN

InChI

InChI=1S/C6H10N2/c7-4-3-6(5-8)1-2-6/h1-3,5,8H2

InChIKey

SFEKRFLQOGMHSZ-UHFFFAOYSA-N

Compound name

2-[1-(aminomethyl)cyclopropyl]acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
Patents: 110.0844 Da
Monoisotopic Mass: -0.4
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]+	111.09168	119.3
[M+Na]+	133.07362	134.4
[M-H]-	109.07712	125.7
[M+NH4]+	128.11822	138.6
[M+K]+	149.04756	129.7
[M+H-H2O]+	93.081660	111.3
[M+HCOO]-	155.08260	141.9
[M+CH3COO]-	169.09825	187.0
[M+Na-2H]-	131.05907	128.8
[M]+	110.08385	117.5
[M]-	110.08495	117.5

Literature stripe

literature stripe

Patent stripe

patents stripe