CID 178244246

2,5-dimethyl-1,3-thiazole 1-oxide

Structural Information

Molecular Formula
C5H7NOS
SMILES
CC1=CN=C(S1=O)C
InChI
InChI=1S/C5H7NOS/c1-4-3-6-5(2)8(4)7/h3H,1-2H3
InChIKey
OOBGGSCOTHRODX-UHFFFAOYSA-N
Compound name
2,5-dimethyl-1,3-thiazole 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

129.02484 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.032116 120.7
[M+Na]+ 152.014058 132.4
[M-H]- 128.017564 124.5
[M+NH4]+ 147.058663 144.6
[M+K]+ 167.987998 130.8
[M+H-H2O]+ 112.022100 115.8
[M+HCOO]- 174.023041 141.2
[M+CH3COO]- 188.038691 169.4
[M+Na-2H]- 149.999506 123.6
[M]+ 129.02429142 124.2
[M]- 129.02538858 124.2
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

No patent data available for this compound.