CID 9106608

1052550-95-4

Structural Information

Molecular Formula
C13H17NO2
SMILES
C1CCC(C1)(C2=CC3=C(C=C2)OCCO3)N
InChI
InChI=1S/C13H17NO2/c14-13(5-1-2-6-13)10-3-4-11-12(9-10)16-8-7-15-11/h3-4,9H,1-2,5-8,14H2
InChIKey
RNMRBEIQJISETM-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.12593 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 149.2
[M+Na]+ 242.11515 160.4
[M+NH4]+ 237.15975 160.3
[M+K]+ 258.08909 154.3
[M-H]- 218.11865 156.6
[M+Na-2H]- 240.10060 155.7
[M]+ 219.12538 153.0
[M]- 219.12648 153.0
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

No patent data available for this compound.