CID 4715220

2-[4-(propan-2-yl)phenyl]pyrrolidine

Structural Information

Molecular Formula

C₁₃H₁₉N

SMILES

CC(C)C1=CC=C(C=C1)C2CCCN2

InChI

InChI=1S/C13H19N/c1-10(2)11-5-7-12(8-6-11)13-4-3-9-14-13/h5-8,10,13-14H,3-4,9H2,1-2H3

InChIKey

ZYXHXFDDXNHWHZ-UHFFFAOYSA-N

Compound name

2-(4-propan-2-ylphenyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 189.15175 Da
Monoisotopic Mass: 2.9
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]+	190.15903	145.4
[M+Na]+	212.14097	150.5
[M-H]-	188.14447	148.7
[M+NH4]+	207.18557	164.6
[M+K]+	228.11491	147.0
[M+H-H2O]+	172.14901	138.3
[M+HCOO]-	234.14995	164.2
[M+CH3COO]-	248.16560	181.6
[M+Na-2H]-	210.12642	147.0
[M]+	189.15120	140.4
[M]-	189.15230	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe