CID 22087334

4,5-dimethyl-2,3-dihydro-1,3-thiazol-2-one

Structural Information

Molecular Formula
C5H7NOS
SMILES
CC1=C(SC(=O)N1)C
InChI
InChI=1S/C5H7NOS/c1-3-4(2)8-5(7)6-3/h1-2H3,(H,6,7)
InChIKey
IPDFOEVQPAUJHG-UHFFFAOYSA-N
Compound name
4,5-dimethyl-3H-1,3-thiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

129.02484 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.032116 121.5
[M+Na]+ 152.014058 132.7
[M-H]- 128.017564 123.8
[M+NH4]+ 147.058663 144.7
[M+K]+ 167.987998 130.1
[M+H-H2O]+ 112.022100 116.9
[M+HCOO]- 174.023041 140.5
[M+CH3COO]- 188.038691 166.7
[M+Na-2H]- 149.999506 123.9
[M]+ 129.02429142 123.1
[M]- 129.02538858 123.1
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