CID 73977883

1416323-17-5

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

CNC1(COC1)CO

InChI

InChI=1S/C5H11NO2/c1-6-5(2-7)3-8-4-5/h6-7H,2-4H2,1H3

InChIKey

SLRFRPGGJXJWPX-UHFFFAOYSA-N

Compound name

[3-(methylamino)oxetan-3-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 117.07898 Da
Monoisotopic Mass: -1.4
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]+	118.08626	121.0
[M+Na]+	140.06820	126.2
[M-H]-	116.07170	124.1
[M+NH4]+	135.11280	136.6
[M+K]+	156.04214	130.3
[M+H-H2O]+	100.07624	112.0
[M+HCOO]-	162.07718	142.4
[M+CH3COO]-	176.09283	171.4
[M+Na-2H]-	138.05365	130.2
[M]+	117.07843	128.7
[M]-	117.07953	128.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe