CID 99787

6722-45-8

Structural Information

Molecular Formula

C₁₄H₂₁NO

SMILES

CCOC(CN1CCCC1)C2=CC=CC=C2

InChI

InChI=1S/C14H21NO/c1-2-16-14(12-15-10-6-7-11-15)13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12H2,1H3

InChIKey

QGGLZIVESWLVPS-UHFFFAOYSA-N

Compound name

1-(2-ethoxy-2-phenylethyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 219.16231 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]+	220.16959	153.2
[M+Na]+	242.15153	157.3
[M-H]-	218.15503	157.3
[M+NH4]+	237.19613	171.4
[M+K]+	258.12547	154.9
[M+H-H2O]+	202.15957	145.1
[M+HCOO]-	264.16051	173.3
[M+CH3COO]-	278.17616	188.2
[M+Na-2H]-	240.13698	155.3
[M]+	219.16176	151.4
[M]-	219.16286	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe