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]+ 175.053576 135.8
[M+Na]+ 197.035518 143.7
[M-H]- 173.039024 137.6
[M+NH4]+ 192.080123 155.1
[M+K]+ 213.009458 141.7
[M+H-H2O]+ 157.043560 130.3
[M+HCOO]- 219.044501 152.0
[M+CH3COO]- 233.060151 176.4
[M+Na-2H]- 195.020966 137.3
[M]+ 174.04575142 135.3
[M]- 174.04684858 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.