CID 43393670

1157110-13-8

Structural Information

Molecular Formula
C6H9NO2S
SMILES
C1=C(ON=C1)CSCCO
InChI
InChI=1S/C6H9NO2S/c8-3-4-10-5-6-1-2-7-9-6/h1-2,8H,3-5H2
InChIKey
SGURMNNJNCDJFR-UHFFFAOYSA-N
Compound name
2-(1,2-oxazol-5-ylmethylsulfanyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.0354 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.042676 130.0
[M+Na]+ 182.024618 138.7
[M-H]- 158.028124 132.0
[M+NH4]+ 177.069223 150.1
[M+K]+ 197.998558 137.9
[M+H-H2O]+ 142.032660 124.5
[M+HCOO]- 204.033601 148.1
[M+CH3COO]- 218.049251 170.2
[M+Na-2H]- 180.010066 134.2
[M]+ 159.03485142 133.8
[M]- 159.03594858 133.8
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.