CID 86332663

1903831-85-5

Structural Information

Molecular Formula
C6H13NO2
SMILES
C1COC[C@@H]([C@@H]1N)CO
InChI
InChI=1S/C6H13NO2/c7-6-1-2-9-4-5(6)3-8/h5-6,8H,1-4,7H2/t5-,6+/m0/s1
InChIKey
MPTPDMSEEPOHOV-NTSWFWBYSA-N
Compound name
[(3S,4R)-4-aminooxan-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

131.09464 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.10192 127.3
[M+Na]+ 154.08386 132.5
[M-H]- 130.08736 129.3
[M+NH4]+ 149.12846 146.7
[M+K]+ 170.05780 132.6
[M+H-H2O]+ 114.09190 122.0
[M+HCOO]- 176.09284 146.9
[M+CH3COO]- 190.10849 170.0
[M+Na-2H]- 152.06931 133.1
[M]+ 131.09409 122.0
[M]- 131.09519 122.0
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.