CID 3014073

2087-56-1

Structural Information

Molecular Formula
C5H8N2OS
SMILES
CN=C1N(C(=O)CS1)C
InChI
InChI=1S/C5H8N2OS/c1-6-5-7(2)4(8)3-9-5/h3H2,1-2H3
InChIKey
LGUXPWLLIDSSPG-UHFFFAOYSA-N
Compound name
3-methyl-2-methylimino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

144.03574 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.043016 127.2
[M+Na]+ 167.024958 136.5
[M-H]- 143.028464 131.5
[M+NH4]+ 162.069563 150.5
[M+K]+ 182.998898 135.5
[M+H-H2O]+ 127.033000 121.5
[M+HCOO]- 189.033941 147.3
[M+CH3COO]- 203.049591 175.8
[M+Na-2H]- 165.010406 129.1
[M]+ 144.03519142 128.1
[M]- 144.03628858 128.1
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