CID 96637659

1657033-35-6

Structural Information

Molecular Formula
C6H13NO2
SMILES
CO[C@@H]1CCOC[C@H]1N
InChI
InChI=1S/C6H13NO2/c1-8-6-2-3-9-4-5(6)7/h5-6H,2-4,7H2,1H3/t5-,6-/m1/s1
InChIKey
CAPZKZHBGFNBHL-PHDIDXHHSA-N
Compound name
(3R,4R)-4-methoxyoxan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 126.6
[M+Na]+ 154.08386 132.2
[M-H]- 130.08736 130.0
[M+NH4]+ 149.12846 146.7
[M+K]+ 170.05780 133.2
[M+H-H2O]+ 114.09190 121.1
[M+HCOO]- 176.09284 147.7
[M+CH3COO]- 190.10849 172.6
[M+Na-2H]- 152.06931 132.9
[M]+ 131.09409 123.2
[M]- 131.09519 123.2
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

patents stripe