CID 43119080

[4-(4-ethoxyphenyl)oxan-4-yl]methanamine

Structural Information

Molecular Formula
C14H21NO2
SMILES
CCOC1=CC=C(C=C1)C2(CCOCC2)CN
InChI
InChI=1S/C14H21NO2/c1-2-17-13-5-3-12(4-6-13)14(11-15)7-9-16-10-8-14/h3-6H,2,7-11,15H2,1H3
InChIKey
JMXAZAXDWCNBRT-UHFFFAOYSA-N
Compound name
[4-(4-ethoxyphenyl)oxan-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.15723 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.164506 155.4
[M+Na]+ 258.146448 160.1
[M-H]- 234.149954 161.5
[M+NH4]+ 253.191053 173.0
[M+K]+ 274.120388 158.7
[M+H-H2O]+ 218.154490 148.3
[M+HCOO]- 280.155431 175.5
[M+CH3COO]- 294.171081 192.0
[M+Na-2H]- 256.131896 161.1
[M]+ 235.15668142 152.7
[M]- 235.15777858 152.7
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.