CID 70030274

Dimethyl-1,2-oxazole-4-thiol

Structural Information

Molecular Formula
C5H7NOS
SMILES
CC1=C(C(=NO1)C)S
InChI
InChI=1S/C5H7NOS/c1-3-5(8)4(2)7-6-3/h8H,1-2H3
InChIKey
WLYUVGWEIQBFGI-UHFFFAOYSA-N
Compound name
3,5-dimethyl-1,2-oxazole-4-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

129.02484 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.032116 120.7
[M+Na]+ 152.014058 132.2
[M-H]- 128.017564 125.1
[M+NH4]+ 147.058663 143.5
[M+K]+ 167.987998 132.2
[M+H-H2O]+ 112.022100 116.0
[M+HCOO]- 174.023041 140.3
[M+CH3COO]- 188.038691 170.1
[M+Na-2H]- 149.999506 124.5
[M]+ 129.02429142 125.4
[M]- 129.02538858 125.4
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

patents stripe