CID 14784825

276862-69-2

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

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

InChI

InChI=1S/C6H13NO2/c1-8-5-3-7-4-6(5)9-2/h5-7H,3-4H2,1-2H3/t5-,6-/m0/s1

InChIKey

CROOPTGQTSCWCM-WDSKDSINSA-N

Compound name

(3S,4S)-3,4-dimethoxypyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 97
Patents: 131.09464 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]+	132.101916	127.3
[M+Na]+	154.083858	134.2
[M-H]-	130.087364	127.9
[M+NH4]+	149.128463	149.1
[M+K]+	170.057798	133.8
[M+H-H2O]+	114.091900	121.7
[M+HCOO]-	176.092841	148.2
[M+CH3COO]-	190.108491	168.2
[M+Na-2H]-	152.069306	131.5
[M]+	131.09409142	125.8
[M]-	131.09518858	125.8

Literature stripe

literature stripe

Patent stripe

patents stripe