CID 2724974

90290-05-4

Structural Information

Molecular Formula

C₈H₁₇NO₂

SMILES

COC[C@H]1CC[C@@H](N1)COC

InChI

InChI=1S/C8H17NO2/c1-10-5-7-3-4-8(9-7)6-11-2/h7-9H,3-6H2,1-2H3/t7-,8-/m1/s1

InChIKey

HDXYTIYVVNJFLU-HTQZYQBOSA-N

Compound name

(2R,5R)-2,5-bis(methoxymethyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 122
Patents: 159.12593 Da
Monoisotopic Mass: 0.1
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]+	160.13321	136.3
[M+Na]+	182.11515	145.2
[M+NH4]+	177.15975	143.8
[M+K]+	198.08909	141.7
[M-H]-	158.11865	136.0
[M+Na-2H]-	180.10060	139.3
[M]+	159.12538	137.1
[M]-	159.12648	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe