CID 7061833

(4s,5s)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine

Structural Information

Molecular Formula
C12H17NO2
SMILES
CC1(OC[C@@H]([C@@H](O1)C2=CC=CC=C2)N)C
InChI
InChI=1S/C12H17NO2/c1-12(2)14-8-10(13)11(15-12)9-6-4-3-5-7-9/h3-7,10-11H,8,13H2,1-2H3/t10-,11-/m0/s1
InChIKey
ILNGCJMEDIBPTL-QWRGUYRKSA-N
Compound name
(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

207.12593 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.133206 147.2
[M+Na]+ 230.115148 153.8
[M-H]- 206.118654 154.7
[M+NH4]+ 225.159753 165.0
[M+K]+ 246.089088 154.0
[M+H-H2O]+ 190.123190 140.8
[M+HCOO]- 252.124131 166.9
[M+CH3COO]- 266.139781 187.3
[M+Na-2H]- 228.100596 154.0
[M]+ 207.12538142 144.9
[M]- 207.12647858 144.9
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