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]+	132.10192	127.3
[M+Na]+	154.08386	132.6
[M-H]-	130.08736	130.0
[M+NH4]+	149.12846	142.3
[M+K]+	170.05780	136.4
[M+H-H2O]+	114.09190	118.8
[M+HCOO]-	176.09284	146.2
[M+CH3COO]-	190.10849	174.1
[M+Na-2H]-	152.06931	135.5
[M]+	131.09409	133.9
[M]-	131.09519	133.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.