CID 155291014

3-(2-aminopropan-2-yl)oxetan-3-ol

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

CC(C)(C1(COC1)O)N

InChI

InChI=1S/C6H13NO2/c1-5(2,7)6(8)3-9-4-6/h8H,3-4,7H2,1-2H3

InChIKey

NLNRVMLFWWLEDM-UHFFFAOYSA-N

Compound name

3-(2-aminopropan-2-yl)oxetan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 131.09464 Da
Monoisotopic Mass: -1.3
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]+	132.101916	127.3
[M+Na]+	154.083858	132.6
[M-H]-	130.087364	130.0
[M+NH4]+	149.128463	142.3
[M+K]+	170.057798	136.4
[M+H-H2O]+	114.091900	118.8
[M+HCOO]-	176.092841	146.2
[M+CH3COO]-	190.108491	174.1
[M+Na-2H]-	152.069306	135.5
[M]+	131.09409142	133.9
[M]-	131.09518858	133.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.