CID 850919

142920-61-4

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

CC1=CC=C(O1)CNC2CCCC2

InChI

InChI=1S/C11H17NO/c1-9-6-7-11(13-9)8-12-10-4-2-3-5-10/h6-7,10,12H,2-5,8H2,1H3

InChIKey

XGCFNYDOXGOOMJ-UHFFFAOYSA-N

Compound name

N-[(5-methylfuran-2-yl)methyl]cyclopentanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 179.13101 Da
Monoisotopic Mass: 2.1
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]+	180.13829	140.4
[M+Na]+	202.12023	146.1
[M-H]-	178.12373	147.4
[M+NH4]+	197.16483	162.2
[M+K]+	218.09417	145.2
[M+H-H2O]+	162.12827	134.6
[M+HCOO]-	224.12921	164.7
[M+CH3COO]-	238.14486	181.9
[M+Na-2H]-	200.10568	143.8
[M]+	179.13046	138.8
[M]-	179.13156	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe