CID 67048931

4-aminooxolan-3-one hydrochloride

Structural Information

Molecular Formula
C4H7NO2
SMILES
C1C(C(=O)CO1)N
InChI
InChI=1S/C4H7NO2/c5-3-1-7-2-4(3)6/h3H,1-2,5H2
InChIKey
ZONXMMDPDDVDDH-UHFFFAOYSA-N
Compound name
4-aminooxolan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

101.047676 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.05495 116.0
[M+Na]+ 124.03689 123.7
[M-H]- 100.04040 119.9
[M+NH4]+ 119.08150 139.1
[M+K]+ 140.01083 124.4
[M+H-H2O]+ 84.044936 111.4
[M+HCOO]- 146.04588 140.0
[M+CH3COO]- 160.06153 165.3
[M+Na-2H]- 122.02234 122.2
[M]+ 101.04713 113.2
[M]- 101.04822 113.2
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