CID 65050482

2172074-67-6

Structural Information

Molecular Formula

C₈H₁₇NO₂

SMILES

C1CCC(C1)(CN)OCCO

InChI

InChI=1S/C8H17NO2/c9-7-8(11-6-5-10)3-1-2-4-8/h10H,1-7,9H2

InChIKey

NYWDVHSNGNLDPL-UHFFFAOYSA-N

Compound name

2-[1-(aminomethyl)cyclopentyl]oxyethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 159.12593 Da
Monoisotopic Mass: -0.5
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	135.7
[M+Na]+	182.11515	140.9
[M-H]-	158.11865	136.8
[M+NH4]+	177.15975	158.8
[M+K]+	198.08909	139.6
[M+H-H2O]+	142.12319	131.0
[M+HCOO]-	204.12413	157.6
[M+CH3COO]-	218.13978	174.3
[M+Na-2H]-	180.10060	140.2
[M]+	159.12538	132.5
[M]-	159.12648	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.