CID 52080031

{3-[(oxan-4-yloxy)methyl]phenyl}methanamine

Structural Information

Molecular Formula
C13H19NO2
SMILES
C1COCCC1OCC2=CC=CC(=C2)CN
InChI
InChI=1S/C13H19NO2/c14-9-11-2-1-3-12(8-11)10-16-13-4-6-15-7-5-13/h1-3,8,13H,4-7,9-10,14H2
InChIKey
XMGKBBLWNLWJFF-UHFFFAOYSA-N
Compound name
[3-(oxan-4-yloxymethyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.14159 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 151.5
[M+Na]+ 244.13081 163.2
[M+NH4]+ 239.17541 160.3
[M+K]+ 260.10475 156.4
[M-H]- 220.13431 157.6
[M+Na-2H]- 242.11626 158.4
[M]+ 221.14104 154.8
[M]- 221.14214 154.8
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.