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]+ 236.16451 155.4
[M+Na]+ 258.14645 160.1
[M-H]- 234.14995 161.5
[M+NH4]+ 253.19105 173.0
[M+K]+ 274.12039 158.7
[M+H-H2O]+ 218.15449 148.3
[M+HCOO]- 280.15543 175.5
[M+CH3COO]- 294.17108 192.0
[M+Na-2H]- 256.13190 161.1
[M]+ 235.15668 152.7
[M]- 235.15778 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.