CID 3057967

74332-79-9

Structural Information

Molecular Formula

C₁₄H₂₁N

SMILES

CC(C)C(C1=CC=CC=C1)N2CCCC2

InChI

InChI=1S/C14H21N/c1-12(2)14(15-10-6-7-11-15)13-8-4-3-5-9-13/h3-5,8-9,12,14H,6-7,10-11H2,1-2H3

InChIKey

GROSVIQDWQSINN-UHFFFAOYSA-N

Compound name

1-(2-methyl-1-phenylpropyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 203.1674 Da
Monoisotopic Mass: 3.6
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]+	204.174676	150.2
[M+Na]+	226.156618	154.1
[M-H]-	202.160124	154.5
[M+NH4]+	221.201223	169.1
[M+K]+	242.130558	151.7
[M+H-H2O]+	186.164660	142.4
[M+HCOO]-	248.165601	169.1
[M+CH3COO]-	262.181251	187.1
[M+Na-2H]-	224.142066	151.2
[M]+	203.16685142	146.4
[M]-	203.16794858	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe