CID 16641454

1005-04-5

Structural Information

Molecular Formula

C₇H₁₆N₂O

SMILES

CC(CN)N1CCOCC1

InChI

InChI=1S/C7H16N2O/c1-7(6-8)9-2-4-10-5-3-9/h7H,2-6,8H2,1H3

InChIKey

PKTHUBCDDJVKKA-UHFFFAOYSA-N

Compound name

2-morpholin-4-ylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 291
Patents: 144.12627 Da
Monoisotopic Mass: -0.6
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]+	145.133546	133.7
[M+Na]+	167.115488	137.8
[M-H]-	143.118994	135.1
[M+NH4]+	162.160093	151.6
[M+K]+	183.089428	138.4
[M+H-H2O]+	127.123530	126.9
[M+HCOO]-	189.124471	151.9
[M+CH3COO]-	203.140121	175.9
[M+Na-2H]-	165.100936	138.8
[M]+	144.12572142	128.7
[M]-	144.12681858	128.7

Literature stripe

literature stripe

Patent stripe

patents stripe