CID 12832480

2-(chloromethyl)-4-(propan-2-yl)morpholine

Structural Information

Molecular Formula

C₈H₁₆ClNO

SMILES

CC(C)N1CCOC(C1)CCl

InChI

InChI=1S/C8H16ClNO/c1-7(2)10-3-4-11-8(5-9)6-10/h7-8H,3-6H2,1-2H3

InChIKey

PBMGKUKINJVKRC-UHFFFAOYSA-N

Compound name

2-(chloromethyl)-4-propan-2-ylmorpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 177.09204 Da
Monoisotopic Mass: 1.3
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]+	178.09932	137.6
[M+Na]+	200.08126	149.5
[M+NH4]+	195.12586	146.4
[M+K]+	216.05520	143.4
[M-H]-	176.08476	140.3
[M+Na-2H]-	198.06671	142.1
[M]+	177.09149	140.3
[M]-	177.09259	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe