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]+ 222.14887 152.2
[M+Na]+ 244.13081 155.6
[M-H]- 220.13431 156.7
[M+NH4]+ 239.17541 169.2
[M+K]+ 260.10475 154.1
[M+H-H2O]+ 204.13885 145.4
[M+HCOO]- 266.13979 170.0
[M+CH3COO]- 280.15544 186.3
[M+Na-2H]- 242.11626 157.3
[M]+ 221.14104 146.3
[M]- 221.14214 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.