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

10
Patents

221.14159 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.148866 150.8
[M+Na]+ 244.130808 154.9
[M-H]- 220.134314 156.6
[M+NH4]+ 239.175413 166.8
[M+K]+ 260.104748 153.4
[M+H-H2O]+ 204.138850 143.2
[M+HCOO]- 266.139791 171.2
[M+CH3COO]- 280.155441 189.4
[M+Na-2H]- 242.116256 155.9
[M]+ 221.14104142 147.4
[M]- 221.14213858 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