CID 2799515

175334-72-2

Structural Information

Molecular Formula
C4H4N2OS
SMILES
C1=C(ON=C1)C(=S)N
InChI
InChI=1S/C4H4N2OS/c5-4(8)3-1-2-6-7-3/h1-2H,(H2,5,8)
InChIKey
CEDRGDFENMZKCQ-UHFFFAOYSA-N
Compound name
1,2-oxazole-5-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

128.00444 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.011716 122.0
[M+Na]+ 150.993658 131.2
[M-H]- 126.997164 125.2
[M+NH4]+ 146.038263 143.2
[M+K]+ 166.967598 130.5
[M+H-H2O]+ 111.001700 116.3
[M+HCOO]- 173.002641 141.3
[M+CH3COO]- 187.018291 168.8
[M+Na-2H]- 148.979106 125.8
[M]+ 128.00389142 122.4
[M]- 128.00498858 122.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe