CID 18453425

1314937-67-1

Structural Information

Molecular Formula

C₆H₁₀N₂

SMILES

C1CC(CC1C#N)N

InChI

InChI=1S/C6H10N2/c7-4-5-1-2-6(8)3-5/h5-6H,1-3,8H2

InChIKey

PKTNSCWXNMMDQK-UHFFFAOYSA-N

Compound name

3-aminocyclopentane-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 110.0844 Da
Monoisotopic Mass: -0.1
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]+	111.091676	123.1
[M+Na]+	133.073618	132.0
[M-H]-	109.077124	126.0
[M+NH4]+	128.118223	144.8
[M+K]+	149.047558	129.8
[M+H-H2O]+	93.081660	111.4
[M+HCOO]-	155.082601	143.2
[M+CH3COO]-	169.098251	183.1
[M+Na-2H]-	131.059066	127.2
[M]+	110.08385142	113.9
[M]-	110.08494858	113.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe