CID 145913818

2-amino-5-[2-(methylsulfanyl)ethyl]-4,5-dihydro-1,3-oxazol-4-one

Structural Information

Molecular Formula
C6H10N2O2S
SMILES
CSCCC1C(=O)NC(=N)O1
InChI
InChI=1S/C6H10N2O2S/c1-11-3-2-4-5(9)8-6(7)10-4/h4H,2-3H2,1H3,(H2,7,8,9)
InChIKey
NPVDIIZPZYTNJZ-UHFFFAOYSA-N
Compound name
2-imino-5-(2-methylsulfanylethyl)-1,3-oxazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.0463 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.05358 135.8
[M+Na]+ 197.03552 143.7
[M-H]- 173.03902 137.6
[M+NH4]+ 192.08012 155.1
[M+K]+ 213.00946 141.7
[M+H-H2O]+ 157.04356 130.3
[M+HCOO]- 219.04450 152.0
[M+CH3COO]- 233.06015 176.4
[M+Na-2H]- 195.02097 137.3
[M]+ 174.04575 135.3
[M]- 174.04685 135.3
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.