CID 409746

Cyclobutanemethanamine

Structural Information

Molecular Formula

C₅H₁₁N

SMILES

C1CC(C1)CN

InChI

InChI=1S/C5H11N/c6-4-5-2-1-3-5/h5H,1-4,6H2

InChIKey

LQNHRNOPWKZUSN-UHFFFAOYSA-N

Compound name

cyclobutylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2896
Patents: 85.08915 Da
Monoisotopic Mass: 0.6
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]+	86.096426	115.2
[M+Na]+	108.07837	120.4
[M-H]-	84.081874	118.3
[M+NH4]+	103.12297	132.0
[M+K]+	124.05231	123.0
[M+H-H2O]+	68.086410	105.3
[M+HCOO]-	130.08735	138.0
[M+CH3COO]-	144.10300	170.0
[M+Na-2H]-	106.06382	121.8
[M]+	85.088601	120.1
[M]-	85.089699	120.1

Literature stripe

literature stripe

Patent stripe

patents stripe