CID 67035055

1272667-83-0

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

C1C(CC1(CO)O)N

InChI

InChI=1S/C5H11NO2/c6-4-1-5(8,2-4)3-7/h4,7-8H,1-3,6H2

InChIKey

VIPCYZVURGQBRM-UHFFFAOYSA-N

Compound name

3-amino-1-(hydroxymethyl)cyclobutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 117.07898 Da
Monoisotopic Mass: -1.6
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]+	118.086256	125.0
[M+Na]+	140.068198	130.7
[M-H]-	116.071704	125.9
[M+NH4]+	135.112803	141.1
[M+K]+	156.042138	132.5
[M+H-H2O]+	100.076240	116.4
[M+HCOO]-	162.077181	145.0
[M+CH3COO]-	176.092831	169.6
[M+Na-2H]-	138.053646	130.6
[M]+	117.07843142	129.6
[M]-	117.07952858	129.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe