CID 931713

440087-51-4

Structural Information

Molecular Formula
C13H19NO2
SMILES
COC1=CC=C(C=C1)C2(CCOCC2)CN
InChI
InChI=1S/C13H19NO2/c1-15-12-4-2-11(3-5-12)13(10-14)6-8-16-9-7-13/h2-5H,6-10,14H2,1H3
InChIKey
CICNVPXSEFWGBP-UHFFFAOYSA-N
Compound name
[4-(4-methoxyphenyl)oxan-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

24
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 151.2
[M+Na]+ 244.13081 163.0
[M+NH4]+ 239.17541 161.5
[M+K]+ 260.10475 154.6
[M-H]- 220.13431 157.3
[M+Na-2H]- 242.11626 159.7
[M]+ 221.14104 154.7
[M]- 221.14214 154.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe