CID 306092

7182-08-3

Structural Information

Molecular Formula

C₁₁H₁₉NO

SMILES

C1CCC=C(CC1)N2CCOCC2

InChI

InChI=1S/C11H19NO/c1-2-4-6-11(5-3-1)12-7-9-13-10-8-12/h5H,1-4,6-10H2

InChIKey

HLVQJUUPEMTTIS-UHFFFAOYSA-N

Compound name

4-(cyclohepten-1-yl)morpholine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 106
Patents: 181.14667 Da
Monoisotopic Mass: 2.3
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]+	182.153946	137.9
[M+Na]+	204.135888	139.1
[M-H]-	180.139394	143.0
[M+NH4]+	199.180493	153.1
[M+K]+	220.109828	142.3
[M+H-H2O]+	164.143930	130.6
[M+HCOO]-	226.144871	153.5
[M+CH3COO]-	240.160521	148.4
[M+Na-2H]-	202.121336	143.0
[M]+	181.14612142	128.4
[M]-	181.14721858	128.4

Literature stripe

literature stripe

Patent stripe

patents stripe