CID 135629491

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

Structural Information

Molecular Formula
C6H8N2OS
SMILES
C1CC1N=C2NC(=O)CS2
InChI
InChI=1S/C6H8N2OS/c9-5-3-10-6(8-5)7-4-1-2-4/h4H,1-3H2,(H,7,8,9)
InChIKey
ZLZWCDMDRRWLKC-UHFFFAOYSA-N
Compound name
2-cyclopropylimino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

156.03574 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04302 129.7
[M+Na]+ 179.02496 139.1
[M-H]- 155.02846 135.9
[M+NH4]+ 174.06956 146.4
[M+K]+ 194.99890 135.6
[M+H-H2O]+ 139.03300 123.2
[M+HCOO]- 201.03394 148.5
[M+CH3COO]- 215.04959 177.2
[M+Na-2H]- 177.01041 132.0
[M]+ 156.03519 130.0
[M]- 156.03629 130.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe