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]+ 234.148866 152.5
[M+Na]+ 256.130808 157.7
[M-H]- 232.134314 159.9
[M+NH4]+ 251.175413 171.4
[M+K]+ 272.104748 156.6
[M+H-H2O]+ 216.138850 146.1
[M+HCOO]- 278.139791 170.6
[M+CH3COO]- 292.155441 164.3
[M+Na-2H]- 254.116256 158.2
[M]+ 233.14104142 148.5
[M]- 233.14213858 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.