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]+ 236.164506 155.5
[M+Na]+ 258.146448 160.4
[M-H]- 234.149954 160.2
[M+NH4]+ 253.191053 171.4
[M+K]+ 274.120388 159.7
[M+H-H2O]+ 218.154490 148.3
[M+HCOO]- 280.155431 175.0
[M+CH3COO]- 294.171081 194.7
[M+Na-2H]- 256.131896 163.5
[M]+ 235.15668142 156.8
[M]- 235.15777858 156.8
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.