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]+ 222.14887 150.9
[M+Na]+ 244.13081 156.0
[M-H]- 220.13431 157.1
[M+NH4]+ 239.17541 169.0
[M+K]+ 260.10475 154.9
[M+H-H2O]+ 204.13885 143.9
[M+HCOO]- 266.13979 171.3
[M+CH3COO]- 280.15544 189.0
[M+Na-2H]- 242.11626 157.1
[M]+ 221.14104 147.9
[M]- 221.14214 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.