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

159
Patents

131.09464 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.10192 126.5
[M+Na]+ 154.08386 133.1
[M-H]- 130.08736 130.9
[M+NH4]+ 149.12846 147.4
[M+K]+ 170.05780 135.3
[M+H-H2O]+ 114.09190 122.0
[M+HCOO]- 176.09284 146.6
[M+CH3COO]- 190.10849 172.3
[M+Na-2H]- 152.06931 135.0
[M]+ 131.09409 124.1
[M]- 131.09519 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