CID 7176276

4-(pyrrolidin-3-yl)morpholine

Structural Information

Molecular Formula

C₈H₁₆N₂O

SMILES

C1CNC[C@H]1N2CCOCC2

InChI

InChI=1S/C8H16N2O/c1-2-9-7-8(1)10-3-5-11-6-4-10/h8-9H,1-7H2/t8-/m0/s1

InChIKey

OPJDRNMJJNFSNZ-QMMMGPOBSA-N

Compound name

4-[(3S)-pyrrolidin-3-yl]morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 242
Patents: 156.12627 Da
Monoisotopic Mass: -0.3
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]+	157.13355	135.6
[M+Na]+	179.11549	139.1
[M-H]-	155.11899	137.2
[M+NH4]+	174.16009	152.8
[M+K]+	195.08943	138.4
[M+H-H2O]+	139.12353	127.7
[M+HCOO]-	201.12447	150.6
[M+CH3COO]-	215.14012	146.5
[M+Na-2H]-	177.10094	139.2
[M]+	156.12572	127.2
[M]-	156.12682	127.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe