CID 56924585

4-(morpholin-4-yl)azepane

Structural Information

Molecular Formula

C₁₀H₂₀N₂O

SMILES

C1CC(CCNC1)N2CCOCC2

InChI

InChI=1S/C10H20N2O/c1-2-10(3-5-11-4-1)12-6-8-13-9-7-12/h10-11H,1-9H2

InChIKey

GXTOUPLOWMLMMH-UHFFFAOYSA-N

Compound name

4-(azepan-4-yl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 184.15756 Da
Monoisotopic Mass: 0.4
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]+	185.164836	140.6
[M+Na]+	207.146778	140.9
[M-H]-	183.150284	142.7
[M+NH4]+	202.191383	153.6
[M+K]+	223.120718	143.4
[M+H-H2O]+	167.154820	131.6
[M+HCOO]-	229.155761	152.4
[M+CH3COO]-	243.171411	149.5
[M+Na-2H]-	205.132226	144.5
[M]+	184.15701142	128.2
[M]-	184.15810858	128.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe