CID 121553060

{4-[amino(phenyl)methyl]oxan-4-yl}methanol

Structural Information

Molecular Formula
C13H19NO2
SMILES
C1COCCC1(CO)C(C2=CC=CC=C2)N
InChI
InChI=1S/C13H19NO2/c14-12(11-4-2-1-3-5-11)13(10-15)6-8-16-9-7-13/h1-5,12,15H,6-10,14H2
InChIKey
QYPXKTOTFOLRID-UHFFFAOYSA-N
Compound name
[4-[amino(phenyl)methyl]oxan-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.14159 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.148866 152.2
[M+Na]+ 244.130808 155.6
[M-H]- 220.134314 156.7
[M+NH4]+ 239.175413 169.2
[M+K]+ 260.104748 154.1
[M+H-H2O]+ 204.138850 145.4
[M+HCOO]- 266.139791 170.0
[M+CH3COO]- 280.155441 186.3
[M+Na-2H]- 242.116256 157.3
[M]+ 221.14104142 146.3
[M]- 221.14213858 146.3
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.