CID 86767837

[1-(morpholin-4-yl)cyclopropyl]methanamine

Structural Information

Molecular Formula

C₈H₁₆N₂O

SMILES

C1CC1(CN)N2CCOCC2

InChI

InChI=1S/C8H16N2O/c9-7-8(1-2-8)10-3-5-11-6-4-10/h1-7,9H2

InChIKey

JRKKRWLKMLJZSB-UHFFFAOYSA-N

Compound name

(1-morpholin-4-ylcyclopropyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 156.12627 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]+	157.133546	137.0
[M+Na]+	179.115488	143.9
[M-H]-	155.118994	142.8
[M+NH4]+	174.160093	151.7
[M+K]+	195.089428	143.9
[M+H-H2O]+	139.123530	130.2
[M+HCOO]-	201.124471	156.1
[M+CH3COO]-	215.140121	179.7
[M+Na-2H]-	177.100936	144.2
[M]+	156.12572142	134.9
[M]-	156.12681858	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.