CID 268108

90227-42-2

Structural Information

Molecular Formula

C₈H₁₇NO₂

SMILES

COCCN1CCC(C1)CO

InChI

InChI=1S/C8H17NO2/c1-11-5-4-9-3-2-8(6-9)7-10/h8,10H,2-7H2,1H3

InChIKey

ZVBJMUVVMBASLP-UHFFFAOYSA-N

Compound name

[1-(2-methoxyethyl)pyrrolidin-3-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 56
Patents: 159.12593 Da
Monoisotopic Mass: -0.2
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]+	160.133206	136.5
[M+Na]+	182.115148	142.5
[M-H]-	158.118654	136.7
[M+NH4]+	177.159753	157.2
[M+K]+	198.089088	141.6
[M+H-H2O]+	142.123190	130.5
[M+HCOO]-	204.124131	156.7
[M+CH3COO]-	218.139781	174.3
[M+Na-2H]-	180.100596	139.6
[M]+	159.12538142	135.7
[M]-	159.12647858	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe