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]+ 248.16451 157.9
[M+Na]+ 270.14645 161.2
[M-H]- 246.14995 164.8
[M+NH4]+ 265.19105 174.1
[M+K]+ 286.12039 160.2
[M+H-H2O]+ 230.15449 151.1
[M+HCOO]- 292.15543 174.6
[M+CH3COO]- 306.17108 168.7
[M+Na-2H]- 268.13190 160.8
[M]+ 247.15668 153.3
[M]- 247.15778 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.