CID 20506

Fourneau 969

Structural Information

Molecular Formula
C14H21NO2
SMILES
CCCCCNCC1COC2=CC=CC=C2O1
InChI
InChI=1S/C14H21NO2/c1-2-3-6-9-15-10-12-11-16-13-7-4-5-8-14(13)17-12/h4-5,7-8,12,15H,2-3,6,9-11H2,1H3
InChIKey
XWNMXSFEFMAVBT-UHFFFAOYSA-N
Compound name
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.15723 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.16451 155.7
[M+Na]+ 258.14645 167.7
[M+NH4]+ 253.19105 164.4
[M+K]+ 274.12039 160.4
[M-H]- 234.14995 161.7
[M+Na-2H]- 256.13190 160.4
[M]+ 235.15668 159.1
[M]- 235.15778 159.1
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.