CID 16641710

[4-(2-methoxyphenyl)oxan-4-yl]methanamine

Structural Information

Molecular Formula
C13H19NO2
SMILES
COC1=CC=CC=C1C2(CCOCC2)CN
InChI
InChI=1S/C13H19NO2/c1-15-12-5-3-2-4-11(12)13(10-14)6-8-16-9-7-13/h2-5H,6-10,14H2,1H3
InChIKey
YVEFLGKUJCGDRZ-UHFFFAOYSA-N
Compound name
[4-(2-methoxyphenyl)oxan-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.14159 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.148866 150.9
[M+Na]+ 244.130808 156.0
[M-H]- 220.134314 157.1
[M+NH4]+ 239.175413 169.0
[M+K]+ 260.104748 154.9
[M+H-H2O]+ 204.138850 143.9
[M+HCOO]- 266.139791 171.3
[M+CH3COO]- 280.155441 189.0
[M+Na-2H]- 242.116256 157.1
[M]+ 221.14104142 147.9
[M]- 221.14213858 147.9
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.