CID 3036316

Dimethyl-1,3-oxazole-2-thiol

Structural Information

Molecular Formula
C5H7NOS
SMILES
CC1=C(OC(=S)N1)C
InChI
InChI=1S/C5H7NOS/c1-3-4(2)7-5(8)6-3/h1-2H3,(H,6,8)
InChIKey
XEJIHKUDPINBCS-UHFFFAOYSA-N
Compound name
4,5-dimethyl-3H-1,3-oxazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

129.02484 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.03212 121.1
[M+Na]+ 152.01406 132.5
[M-H]- 128.01756 124.1
[M+NH4]+ 147.05866 143.1
[M+K]+ 167.98800 130.7
[M+H-H2O]+ 112.02210 116.6
[M+HCOO]- 174.02304 139.3
[M+CH3COO]- 188.03869 166.6
[M+Na-2H]- 149.99951 124.4
[M]+ 129.02429 123.2
[M]- 129.02539 123.2
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