CID 65352553

2-cyclopentyl-1-(2,3-dihydro-1,4-benzodioxin-2-yl)ethan-1-amine

Structural Information

Molecular Formula
C15H21NO2
SMILES
C1CCC(C1)CC(C2COC3=CC=CC=C3O2)N
InChI
InChI=1S/C15H21NO2/c16-12(9-11-5-1-2-6-11)15-10-17-13-7-3-4-8-14(13)18-15/h3-4,7-8,11-12,15H,1-2,5-6,9-10,16H2
InChIKey
LMRBOUFAOSVJNQ-UHFFFAOYSA-N
Compound name
2-cyclopentyl-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.15723 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.164506 157.9
[M+Na]+ 270.146448 161.2
[M-H]- 246.149954 164.8
[M+NH4]+ 265.191053 174.1
[M+K]+ 286.120388 160.2
[M+H-H2O]+ 230.154490 151.1
[M+HCOO]- 292.155431 174.6
[M+CH3COO]- 306.171081 168.7
[M+Na-2H]- 268.131896 160.8
[M]+ 247.15668142 153.3
[M]- 247.15777858 153.3
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.