CID 43509870

3-(4-hydroxybutyl)-1,3-oxazolidin-2-one

Structural Information

Molecular Formula
C7H13NO3
SMILES
C1COC(=O)N1CCCCO
InChI
InChI=1S/C7H13NO3/c9-5-2-1-3-8-4-6-11-7(8)10/h9H,1-6H2
InChIKey
TUWJYQVKXFSFFT-UHFFFAOYSA-N
Compound name
3-(4-hydroxybutyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.08954 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.09682 133.2
[M+Na]+ 182.07876 139.9
[M-H]- 158.08226 134.2
[M+NH4]+ 177.12336 152.4
[M+K]+ 198.05270 140.0
[M+H-H2O]+ 142.08680 127.4
[M+HCOO]- 204.08774 153.2
[M+CH3COO]- 218.10339 172.4
[M+Na-2H]- 180.06421 137.8
[M]+ 159.08899 133.3
[M]- 159.09009 133.3
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.