CID 2733140

(4s,5s)-(+)-2,2-dimethyl-5-methylamino-4-phenyl-1,3-dioxane

Structural Information

Molecular Formula
C13H19NO2
SMILES
CC1(OC[C@@H]([C@@H](O1)C2=CC=CC=C2)NC)C
InChI
InChI=1S/C13H19NO2/c1-13(2)15-9-11(14-3)12(16-13)10-7-5-4-6-8-10/h4-8,11-12,14H,9H2,1-3H3/t11-,12-/m0/s1
InChIKey
OLDLOVICBLVDFQ-RYUDHWBXSA-N
Compound name
(4S,5S)-N,2,2-trimethyl-4-phenyl-1,3-dioxan-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

221.14159 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 151.0
[M+Na]+ 244.13081 157.2
[M-H]- 220.13431 158.8
[M+NH4]+ 239.17541 168.5
[M+K]+ 260.10475 157.4
[M+H-H2O]+ 204.13885 144.3
[M+HCOO]- 266.13979 171.0
[M+CH3COO]- 280.15544 191.0
[M+Na-2H]- 242.11626 158.3
[M]+ 221.14104 150.0
[M]- 221.14214 150.0
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