CID 57656432

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
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 150.8
[M+Na]+ 244.13081 154.9
[M-H]- 220.13431 156.6
[M+NH4]+ 239.17541 166.8
[M+K]+ 260.10475 153.4
[M+H-H2O]+ 204.13885 143.2
[M+HCOO]- 266.13979 171.2
[M+CH3COO]- 280.15544 189.4
[M+Na-2H]- 242.11626 155.9
[M]+ 221.14104 147.4
[M]- 221.14214 147.4
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

patents stripe