CID 871518

114413-77-3

Structural Information

Molecular Formula
C13H17NO2
SMILES
C1CCC(C1)NCC2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C13H17NO2/c1-2-4-11(3-1)14-8-10-5-6-12-13(7-10)16-9-15-12/h5-7,11,14H,1-4,8-9H2
InChIKey
LOYZMUZNAPZSOX-UHFFFAOYSA-N
Compound name
N-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

219.12593 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 148.9
[M+Na]+ 242.11515 159.2
[M+NH4]+ 237.15975 158.4
[M+K]+ 258.08909 156.8
[M-H]- 218.11865 155.7
[M+Na-2H]- 240.10060 153.4
[M]+ 219.12538 152.2
[M]- 219.12648 152.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.