CID 23460106

75095-83-9

Structural Information

Molecular Formula

C₁₂H₁₇N

SMILES

CC1=CC=C(C=C1)C2(CCCC2)N

InChI

InChI=1S/C12H17N/c1-10-4-6-11(7-5-10)12(13)8-2-3-9-12/h4-7H,2-3,8-9,13H2,1H3

InChIKey

RESLJLKNUFHRCC-UHFFFAOYSA-N

Compound name

1-(4-methylphenyl)cyclopentan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 175.1361 Da
Monoisotopic Mass: 2.2
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]+	176.143376	139.4
[M+Na]+	198.125318	145.9
[M-H]-	174.128824	145.5
[M+NH4]+	193.169923	162.7
[M+K]+	214.099258	142.7
[M+H-H2O]+	158.133360	133.5
[M+HCOO]-	220.134301	162.8
[M+CH3COO]-	234.149951	181.4
[M+Na-2H]-	196.110766	143.8
[M]+	175.13555142	134.6
[M]-	175.13664858	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe