CID 165905693

2866352-67-0

Structural Information

Molecular Formula
C6H13NO2
SMILES
C[C@H]1[C@H](OCCO1)CN
InChI
InChI=1S/C6H13NO2/c1-5-6(4-7)9-3-2-8-5/h5-6H,2-4,7H2,1H3/t5-,6+/m0/s1
InChIKey
MOEOFJGRMPHPHN-NTSWFWBYSA-N
Compound name
[(2R,3S)-3-methyl-1,4-dioxan-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 128.0
[M+Na]+ 154.083858 133.7
[M-H]- 130.087364 132.0
[M+NH4]+ 149.128463 146.8
[M+K]+ 170.057798 135.5
[M+H-H2O]+ 114.091900 122.5
[M+HCOO]- 176.092841 148.1
[M+CH3COO]- 190.108491 172.7
[M+Na-2H]- 152.069306 135.2
[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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.