CID 210739

Morpholine, 4-(1-(2-thienyl)cyclohexyl)-, hydrochloride

Structural Information

Molecular Formula

C₁₄H₂₁NOS

SMILES

C1CCC(CC1)(C2=CC=CS2)N3CCOCC3

InChI

InChI=1S/C14H21NOS/c1-2-6-14(7-3-1,13-5-4-12-17-13)15-8-10-16-11-9-15/h4-5,12H,1-3,6-11H2

InChIKey

QBLUKXGKYQEPBB-UHFFFAOYSA-N

Compound name

4-(1-thiophen-2-ylcyclohexyl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 251.13438 Da
Monoisotopic Mass: 2.7
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]+	252.141656	157.4
[M+Na]+	274.123598	161.0
[M-H]-	250.127104	164.9
[M+NH4]+	269.168203	175.3
[M+K]+	290.097538	159.2
[M+H-H2O]+	234.131640	149.9
[M+HCOO]-	296.132581	168.9
[M+CH3COO]-	310.148231	167.9
[M+Na-2H]-	272.109046	158.1
[M]+	251.13383142	151.6
[M]-	251.13492858	151.6

Literature stripe

literature stripe

Patent stripe

patents stripe