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: 190
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	123.1
[M+Na]+	119.05797	129.1
[M+NH4]+	114.10257	125.2
[M+K]+	135.03191	122.7
[M-H]-	95.061474	115.7
[M+Na-2H]-	117.04342	123.8
[M]+	96.068201	119.9
[M]-	96.069299	119.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe