CID 62066692

3-[4-(propan-2-yl)phenyl]pyrrolidine

Structural Information

Molecular Formula

C₁₃H₁₉N

SMILES

CC(C)C1=CC=C(C=C1)C2CCNC2

InChI

InChI=1S/C13H19N/c1-10(2)11-3-5-12(6-4-11)13-7-8-14-9-13/h3-6,10,13-14H,7-9H2,1-2H3

InChIKey

IJSSFALYJPSPMS-UHFFFAOYSA-N

Compound name

3-(4-propan-2-ylphenyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 189.15175 Da
Monoisotopic Mass: 2.8
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	145.9
[M+Na]+	212.14097	157.5
[M+NH4]+	207.18557	155.1
[M+K]+	228.11491	152.2
[M-H]-	188.14447	149.3
[M+Na-2H]-	210.12642	152.6
[M]+	189.15120	148.4
[M]-	189.15230	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe