CID 145915535

3-{3-[(2-hydroxyethyl)amino]propyl}-1,3-oxazolidin-2-one hydrochloride

Structural Information

Molecular Formula
C8H16N2O3
SMILES
C1COC(=O)N1CCCNCCO
InChI
InChI=1S/C8H16N2O3/c11-6-3-9-2-1-4-10-5-7-13-8(10)12/h9,11H,1-7H2
InChIKey
BUPGQGNMQVNDBW-UHFFFAOYSA-N
Compound name
3-[3-(2-hydroxyethylamino)propyl]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.11609 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.12337 141.4
[M+Na]+ 211.10531 146.8
[M-H]- 187.10881 142.2
[M+NH4]+ 206.14991 159.1
[M+K]+ 227.07925 146.4
[M+H-H2O]+ 171.11335 134.8
[M+HCOO]- 233.11429 162.2
[M+CH3COO]- 247.12994 180.4
[M+Na-2H]- 209.09076 145.9
[M]+ 188.11554 141.2
[M]- 188.11664 141.2
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.