CID 43803961

1157544-58-5

Structural Information

Molecular Formula

C₁₄H₁₉NO

SMILES

C1CCC(C1)NCC2=CC3=C(C=C2)OCC3

InChI

InChI=1S/C14H19NO/c1-2-4-13(3-1)15-10-11-5-6-14-12(9-11)7-8-16-14/h5-6,9,13,15H,1-4,7-8,10H2

InChIKey

FCTZRKSFMSTWPO-UHFFFAOYSA-N

Compound name

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 217.14667 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]+	218.15395	148.9
[M+Na]+	240.13589	153.8
[M-H]-	216.13939	156.4
[M+NH4]+	235.18049	170.0
[M+K]+	256.10983	151.6
[M+H-H2O]+	200.14393	142.9
[M+HCOO]-	262.14487	170.7
[M+CH3COO]-	276.16052	161.4
[M+Na-2H]-	238.12134	152.4
[M]+	217.14612	145.9
[M]-	217.14722	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe