CID 12699160

Rel-(1r,2s)-cyclobutane-1,2-diamine dihydrochloride

Structural Information

Molecular Formula

C₄H₁₀N₂

SMILES

C1C[C@@H]([C@@H]1N)N

InChI

InChI=1S/C4H10N2/c5-3-1-2-4(3)6/h3-4H,1-2,5-6H2/t3-,4+

InChIKey

VHCQWQAYVBRQQC-ZXZARUISSA-N

Compound name

(1R,2S)-cyclobutane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
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	117.9
[M+Na]+	109.07362	122.6
[M+NH4]+	104.11822	122.8
[M+K]+	125.04756	119.9
[M-H]-	85.077124	117.5
[M+Na-2H]-	107.05907	120.3
[M]+	86.083851	117.0
[M]-	86.084949	117.0

Literature stripe

literature stripe

Patent stripe

patents stripe