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]+ 160.04268 130.0
[M+Na]+ 182.02462 138.7
[M-H]- 158.02812 132.0
[M+NH4]+ 177.06922 150.1
[M+K]+ 197.99856 137.9
[M+H-H2O]+ 142.03266 124.5
[M+HCOO]- 204.03360 148.1
[M+CH3COO]- 218.04925 170.2
[M+Na-2H]- 180.01007 134.2
[M]+ 159.03485 133.8
[M]- 159.03595 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.