CID 118719355

2-methyl-2,3-dihydro-1lambda6,2-thiazole-1,1-dione

Structural Information

Molecular Formula
C4H7NO2S
SMILES
CN1CC=CS1(=O)=O
InChI
InChI=1S/C4H7NO2S/c1-5-3-2-4-8(5,6)7/h2,4H,3H2,1H3
InChIKey
MGRWDAVEFXSRQB-UHFFFAOYSA-N
Compound name
2-methyl-3H-1,2-thiazole 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

133.01974 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.027016 120.2
[M+Na]+ 156.008958 131.2
[M-H]- 132.012464 123.6
[M+NH4]+ 151.053563 145.4
[M+K]+ 171.982898 130.2
[M+H-H2O]+ 116.017000 116.1
[M+HCOO]- 178.017941 140.0
[M+CH3COO]- 192.033591 166.3
[M+Na-2H]- 153.994406 124.9
[M]+ 133.01919142 122.7
[M]- 133.02028858 122.7
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