CID 55300173

2287236-66-0

Structural Information

Molecular Formula

C₅H₁₀ClNO

SMILES

C1[C@@H](CN[C@@H]1CO)Cl

InChI

InChI=1S/C5H10ClNO/c6-4-1-5(3-8)7-2-4/h4-5,7-8H,1-3H2/t4-,5-/m0/s1

InChIKey

OAQYYAKYEIQUTL-WHFBIAKZSA-N

Compound name

[(2S,4S)-4-chloropyrrolidin-2-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 135.04509 Da
Monoisotopic Mass: 0.0
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]+	136.052366	127.2
[M+Na]+	158.034308	134.9
[M-H]-	134.037814	126.3
[M+NH4]+	153.078913	148.9
[M+K]+	174.008248	131.2
[M+H-H2O]+	118.042350	122.7
[M+HCOO]-	180.043291	142.0
[M+CH3COO]-	194.058941	164.5
[M+Na-2H]-	156.019756	130.8
[M]+	135.04454142	123.6
[M]-	135.04563858	123.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe