CID 68157769

1638765-32-8

Structural Information

Molecular Formula

C₅H₈N₂

SMILES

C1C(CC1N)C#N

InChI

InChI=1S/C5H8N2/c6-3-4-1-5(7)2-4/h4-5H,1-2,7H2

InChIKey

PZADMZULTQOXJY-UHFFFAOYSA-N

Compound name

3-aminocyclobutane-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 164
Patents: 96.06875 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]+	97.076026	114.4
[M+Na]+	119.057968	122.0
[M-H]-	95.061474	117.9
[M+NH4]+	114.102573	129.4
[M+K]+	135.031908	125.3
[M+H-H2O]+	79.066010	98.8
[M+HCOO]-	141.066951	133.8
[M+CH3COO]-	155.082601	185.3
[M+Na-2H]-	117.043416	120.4
[M]+	96.06820142	114.5
[M]-	96.06929858	114.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe