CID 28610923

N-(1-benzofuran-2-ylmethyl)cyclopentanamine

Structural Information

Molecular Formula
C14H17NO
SMILES
C1CCC(C1)NCC2=CC3=CC=CC=C3O2
InChI
InChI=1S/C14H17NO/c1-4-8-14-11(5-1)9-13(16-14)10-15-12-6-2-3-7-12/h1,4-5,8-9,12,15H,2-3,6-7,10H2
InChIKey
INZATFLOOKNDKK-UHFFFAOYSA-N
Compound name
N-(1-benzofuran-2-ylmethyl)cyclopentanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

215.13101 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.13829 147.7
[M+Na]+ 238.12023 159.7
[M+NH4]+ 233.16483 157.9
[M+K]+ 254.09417 155.8
[M-H]- 214.12373 154.1
[M+Na-2H]- 236.10568 154.7
[M]+ 215.13046 151.2
[M]- 215.13156 151.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe