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

88
Patents

129.02484 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.032116 121.1
[M+Na]+ 152.014058 132.5
[M-H]- 128.017564 124.1
[M+NH4]+ 147.058663 143.1
[M+K]+ 167.987998 130.7
[M+H-H2O]+ 112.022100 116.6
[M+HCOO]- 174.023041 139.3
[M+CH3COO]- 188.038691 166.6
[M+Na-2H]- 149.999506 124.4
[M]+ 129.02429142 123.2
[M]- 129.02538858 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