CID 9877358

Trans-4-methoxy-3-pyrrolidinol

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

CO[C@H]1CNC[C@@H]1O

InChI

InChI=1S/C5H11NO2/c1-8-5-3-6-2-4(5)7/h4-7H,2-3H2,1H3/t4-,5-/m0/s1

InChIKey

NLVZYRDCKUFONR-WHFBIAKZSA-N

Compound name

(3S,4S)-4-methoxypyrrolidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 72
Patents: 117.07898 Da
Monoisotopic Mass: -1.1
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	123.6
[M+Na]+	140.06820	130.5
[M-H]-	116.07170	123.0
[M+NH4]+	135.11280	145.2
[M+K]+	156.04214	129.4
[M+H-H2O]+	100.07624	118.4
[M+HCOO]-	162.07718	143.3
[M+CH3COO]-	176.09283	162.6
[M+Na-2H]-	138.05365	127.8
[M]+	117.07843	119.8
[M]-	117.07953	119.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe