CID 9793712

190792-70-2

Structural Information

Molecular Formula
C4H9NO2
SMILES
C1[C@@H]([C@H](CO1)O)N
InChI
InChI=1S/C4H9NO2/c5-3-1-7-2-4(3)6/h3-4,6H,1-2,5H2/t3-,4-/m0/s1
InChIKey
HQVKXDYSIGDGSY-IMJSIDKUSA-N
Compound name
(3R,4S)-4-aminooxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

631
Patents

103.06333 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.07061 118.0
[M+Na]+ 126.05255 124.9
[M-H]- 102.05605 120.4
[M+NH4]+ 121.09715 140.3
[M+K]+ 142.02649 125.3
[M+H-H2O]+ 86.060590 113.4
[M+HCOO]- 148.06153 140.2
[M+CH3COO]- 162.07718 163.6
[M+Na-2H]- 124.03800 123.6
[M]+ 103.06278 114.0
[M]- 103.06388 114.0
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

patents stripe