CID 3614772

[(1,4-dioxan-2-yl)methyl](methyl)amine

Structural Information

Molecular Formula
C6H13NO2
SMILES
CNCC1COCCO1
InChI
InChI=1S/C6H13NO2/c1-7-4-6-5-8-2-3-9-6/h6-7H,2-5H2,1H3
InChIKey
YYQGIBVMSBPIEC-UHFFFAOYSA-N
Compound name
1-(1,4-dioxan-2-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

131.09464 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.101916 127.3
[M+Na]+ 154.083858 132.1
[M-H]- 130.087364 131.5
[M+NH4]+ 149.128463 146.1
[M+K]+ 170.057798 134.3
[M+H-H2O]+ 114.091900 121.6
[M+HCOO]- 176.092841 148.1
[M+CH3COO]- 190.108491 172.2
[M+Na-2H]- 152.069306 136.3
[M]+ 131.09409142 125.2
[M]- 131.09518858 125.2
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