CID 828980

462068-58-2

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

C1CCC(CC1)NCC2=COC=C2

InChI

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

InChIKey

WOKDOHAOOOCYGS-UHFFFAOYSA-N

Compound name

N-(furan-3-ylmethyl)cyclohexanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 179.13101 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]+	180.138286	139.6
[M+Na]+	202.120228	143.5
[M-H]-	178.123734	145.8
[M+NH4]+	197.164833	159.2
[M+K]+	218.094168	142.5
[M+H-H2O]+	162.128270	132.9
[M+HCOO]-	224.129211	161.8
[M+CH3COO]-	238.144861	180.8
[M+Na-2H]-	200.105676	145.1
[M]+	179.13046142	135.4
[M]-	179.13155858	135.4

Literature stripe

literature stripe

Patent stripe

patents stripe