CID 3039629

50901-96-7

Structural Information

Molecular Formula

C₁₁H₁₃FN₂

SMILES

CC1C(CC(=N1)N)C2=CC=C(C=C2)F

InChI

InChI=1S/C11H13FN2/c1-7-10(6-11(13)14-7)8-2-4-9(12)5-3-8/h2-5,7,10H,6H2,1H3,(H2,13,14)

InChIKey

QIAQTNWPMUKBGS-UHFFFAOYSA-N

Compound name

3-(4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 192.10628 Da
Monoisotopic Mass: 1.0
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]+	193.113556	140.0
[M+Na]+	215.095498	148.9
[M-H]-	191.099004	144.3
[M+NH4]+	210.140103	160.0
[M+K]+	231.069438	145.1
[M+H-H2O]+	175.103540	132.2
[M+HCOO]-	237.104481	162.9
[M+CH3COO]-	251.120131	186.1
[M+Na-2H]-	213.080946	142.9
[M]+	192.10573142	136.3
[M]-	192.10682858	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.