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]+ 132.10192 128.0
[M+Na]+ 154.08386 133.7
[M-H]- 130.08736 132.0
[M+NH4]+ 149.12846 146.8
[M+K]+ 170.05780 135.5
[M+H-H2O]+ 114.09190 122.5
[M+HCOO]- 176.09284 148.1
[M+CH3COO]- 190.10849 172.7
[M+Na-2H]- 152.06931 135.2
[M]+ 131.09409 125.2
[M]- 131.09519 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.