CID 146448202

2503155-07-3

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

COC[C@H]1C[C@H](NC1)CO

InChI

InChI=1S/C7H15NO2/c1-10-5-6-2-7(4-9)8-3-6/h6-9H,2-5H2,1H3/t6-,7-/m0/s1

InChIKey

NGTCWJRLKLTPBA-BQBZGAKWSA-N

Compound name

[(2S,4S)-4-(methoxymethyl)pyrrolidin-2-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 145.11028 Da
Monoisotopic Mass: -0.6
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]+	146.11756	132.7
[M+Na]+	168.09950	138.7
[M-H]-	144.10300	131.7
[M+NH4]+	163.14410	153.2
[M+K]+	184.07344	137.1
[M+H-H2O]+	128.10754	127.1
[M+HCOO]-	190.10848	151.8
[M+CH3COO]-	204.12413	168.6
[M+Na-2H]-	166.08495	135.8
[M]+	145.10973	129.6
[M]-	145.11083	129.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe