CID 22918656

1,3-dioxan-5-amine hydrochloride

Structural Information

Molecular Formula
C4H9NO2
SMILES
C1C(COCO1)N
InChI
InChI=1S/C4H9NO2/c5-4-1-6-3-7-2-4/h4H,1-3,5H2
InChIKey
AOLBMIGVOLSSNI-UHFFFAOYSA-N
Compound name
1,3-dioxan-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

146
Patents

103.06333 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.070606 118.5
[M+Na]+ 126.052548 124.0
[M-H]- 102.056054 122.5
[M+NH4]+ 121.097153 138.1
[M+K]+ 142.026488 126.4
[M+H-H2O]+ 86.060590 113.1
[M+HCOO]- 148.061531 139.2
[M+CH3COO]- 162.077181 165.5
[M+Na-2H]- 124.037996 127.5
[M]+ 103.06278142 114.6
[M]- 103.06387858 114.6
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