CID 75480616

(2-phenyl-1,3-oxazol-4-yl)methanethiol

Structural Information

Molecular Formula
C10H9NOS
SMILES
C1=CC=C(C=C1)C2=NC(=CO2)CS
InChI
InChI=1S/C10H9NOS/c13-7-9-6-12-10(11-9)8-4-2-1-3-5-8/h1-6,13H,7H2
InChIKey
VKAXJSNCTPVCJV-UHFFFAOYSA-N
Compound name
(2-phenyl-1,3-oxazol-4-yl)methanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.04048 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.047756 137.3
[M+Na]+ 214.029698 147.6
[M-H]- 190.033204 144.4
[M+NH4]+ 209.074303 157.0
[M+K]+ 230.003638 145.5
[M+H-H2O]+ 174.037740 131.1
[M+HCOO]- 236.038681 157.1
[M+CH3COO]- 250.054331 151.9
[M+Na-2H]- 212.015146 141.6
[M]+ 191.03993142 141.1
[M]- 191.04102858 141.1
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.