CID 14784824

Trans-3,4-dimethoxypyrrolidine hydrochloride

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

COC1CNCC1OC

InChI

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

InChIKey

CROOPTGQTSCWCM-UHFFFAOYSA-N

Compound name

3,4-dimethoxypyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 175
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]+	132.10192	127.3
[M+Na]+	154.08386	134.2
[M-H]-	130.08736	127.9
[M+NH4]+	149.12846	149.1
[M+K]+	170.05780	133.8
[M+H-H2O]+	114.09190	121.7
[M+HCOO]-	176.09284	148.2
[M+CH3COO]-	190.10849	168.2
[M+Na-2H]-	152.06931	131.5
[M]+	131.09409	125.8
[M]-	131.09519	125.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe