CID 11768608

2,2-dimethyl-1,3-dioxan-5-amine

Structural Information

Molecular Formula
C6H13NO2
SMILES
CC1(OCC(CO1)N)C
InChI
InChI=1S/C6H13NO2/c1-6(2)8-3-5(7)4-9-6/h5H,3-4,7H2,1-2H3
InChIKey
ADLFBRNPQMLXTQ-UHFFFAOYSA-N
Compound name
2,2-dimethyl-1,3-dioxan-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

168
Patents

131.09464 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.101916 126.5
[M+Na]+ 154.083858 133.1
[M-H]- 130.087364 130.9
[M+NH4]+ 149.128463 147.4
[M+K]+ 170.057798 135.3
[M+H-H2O]+ 114.091900 122.0
[M+HCOO]- 176.092841 146.6
[M+CH3COO]- 190.108491 172.3
[M+Na-2H]- 152.069306 135.0
[M]+ 131.09409142 124.1
[M]- 131.09518858 124.1
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