CID 220936

4-methyl-2,3-dihydro-1,3-thiazol-2-one

Structural Information

Molecular Formula
C4H5NOS
SMILES
CC1=CSC(=O)N1
InChI
InChI=1S/C4H5NOS/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)
InChIKey
ZMEVDFFLOPFGCR-UHFFFAOYSA-N
Compound name
4-methyl-3H-1,3-thiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

456
Patents

115.009186 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.01646 117.6
[M+Na]+ 137.99840 128.4
[M-H]- 114.00191 119.8
[M+NH4]+ 133.04301 141.1
[M+K]+ 153.97234 126.1
[M+H-H2O]+ 98.006446 112.9
[M+HCOO]- 160.00739 137.0
[M+CH3COO]- 174.02304 162.5
[M+Na-2H]- 135.98385 121.2
[M]+ 115.00864 118.5
[M]- 115.00973 118.5
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