CID 660095

153643-86-8

Structural Information

Molecular Formula
C14H19NO2
SMILES
C1CCC(C1)(CN)C2=CC3=C(C=C2)OCCO3
InChI
InChI=1S/C14H19NO2/c15-10-14(5-1-2-6-14)11-3-4-12-13(9-11)17-8-7-16-12/h3-4,9H,1-2,5-8,10,15H2
InChIKey
ORJRBNBSWBOVBO-UHFFFAOYSA-N
Compound name
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

233.14159 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 152.5
[M+Na]+ 256.13081 157.7
[M-H]- 232.13431 159.9
[M+NH4]+ 251.17541 171.4
[M+K]+ 272.10475 156.6
[M+H-H2O]+ 216.13885 146.1
[M+HCOO]- 278.13979 170.6
[M+CH3COO]- 292.15544 164.3
[M+Na-2H]- 254.11626 158.2
[M]+ 233.14104 148.5
[M]- 233.14214 148.5
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.