CID 135778872

2-(methylamino)-4,5-dihydro-1,3-thiazol-4-one

Structural Information

Molecular Formula
C4H6N2OS
SMILES
CN=C1NC(=O)CS1
InChI
InChI=1S/C4H6N2OS/c1-5-4-6-3(7)2-8-4/h2H2,1H3,(H,5,6,7)
InChIKey
DDHGVUYPMIUDTI-UHFFFAOYSA-N
Compound name
2-methylimino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

130.02008 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.027356 123.8
[M+Na]+ 153.009298 132.3
[M-H]- 129.012804 126.4
[M+NH4]+ 148.053903 146.6
[M+K]+ 168.983238 130.6
[M+H-H2O]+ 113.017340 118.2
[M+HCOO]- 175.018281 142.8
[M+CH3COO]- 189.033931 169.0
[M+Na-2H]- 150.994746 126.4
[M]+ 130.01953142 122.1
[M]- 130.02062858 122.1
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