CID 20514195

2-aminocyclobutane-1,3-diolhydrochloride

Structural Information

Molecular Formula

SMILES

C1C(C(C1O)N)O

InChI

InChI=1S/C4H9NO2/c5-4-2(6)1-3(4)7/h2-4,6-7H,1,5H2

InChIKey

XRSPSLMIYRTMHA-UHFFFAOYSA-N

Compound name

2-aminocyclobutane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 103.06333 Da
Monoisotopic Mass: -1.8
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]+	104.07061	120.3
[M+Na]+	126.05255	125.0
[M+NH4]+	121.09715	124.1
[M+K]+	142.02649	123.4
[M-H]-	102.05605	117.9
[M+Na-2H]-	124.03800	121.1
[M]+	103.06278	118.7
[M]-	103.06388	118.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe