CID 1268137

66283-23-6

Structural Information

Molecular Formula

C₁₁H₂₂N₂O

SMILES

CN1CCC[C@H]1CN2CCC[C@H]2CO

InChI

InChI=1S/C11H22N2O/c1-12-6-2-4-10(12)8-13-7-3-5-11(13)9-14/h10-11,14H,2-9H2,1H3/t10-,11-/m0/s1

InChIKey

VAUQXPBOGCJNHH-QWRGUYRKSA-N

Compound name

[(2S)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 198.17322 Da
Monoisotopic Mass: 0.7
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]+	199.18050	149.2
[M+Na]+	221.16244	157.2
[M+NH4]+	216.20704	156.9
[M+K]+	237.13638	155.3
[M-H]-	197.16594	150.1
[M+Na-2H]-	219.14789	151.8
[M]+	198.17267	150.2
[M]-	198.17377	150.2

Literature stripe

literature stripe

Patent stripe

patents stripe