CID 20109550

1864052-08-3

Structural Information

Molecular Formula

C₁₃H₁₉NO

SMILES

COC1=CC=C(C=C1)C(C2CCCC2)N

InChI

InChI=1S/C13H19NO/c1-15-12-8-6-11(7-9-12)13(14)10-4-2-3-5-10/h6-10,13H,2-5,14H2,1H3

InChIKey

MXCXFNDZRCOLQJ-UHFFFAOYSA-N

Compound name

cyclopentyl-(4-methoxyphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 205.14667 Da
Monoisotopic Mass: 2.6
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]+	206.15395	148.2
[M+Na]+	228.13589	152.8
[M-H]-	204.13939	153.8
[M+NH4]+	223.18049	168.1
[M+K]+	244.10983	150.3
[M+H-H2O]+	188.14393	141.3
[M+HCOO]-	250.14487	170.4
[M+CH3COO]-	264.16052	187.8
[M+Na-2H]-	226.12134	149.7
[M]+	205.14612	144.2
[M]-	205.14722	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe