CID 22022636

Cyclobutane-1,3-diamine dihydrochloride

Structural Information

Molecular Formula

C₄H₁₀N₂

SMILES

C1C(CC1N)N

InChI

InChI=1S/C4H10N2/c5-3-1-4(6)2-3/h3-4H,1-2,5-6H2

InChIKey

UYLSVYARXBFEKV-UHFFFAOYSA-N

Compound name

cyclobutane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 806
Patents: 86.0844 Da
Monoisotopic Mass: -1.0
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]+	87.091676	117.1
[M+Na]+	109.07362	122.4
[M-H]-	85.077124	119.9
[M+NH4]+	104.11822	133.3
[M+K]+	125.04756	125.0
[M+H-H2O]+	69.081660	106.5
[M+HCOO]-	131.08260	140.3
[M+CH3COO]-	145.09825	172.2
[M+Na-2H]-	107.05907	122.3
[M]+	86.083851	120.1
[M]-	86.084949	120.1

Literature stripe

literature stripe

Patent stripe

patents stripe