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

19
Patents

156.03574 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.043016 129.7
[M+Na]+ 179.024958 139.1
[M-H]- 155.028464 135.9
[M+NH4]+ 174.069563 146.4
[M+K]+ 194.998898 135.6
[M+H-H2O]+ 139.033000 123.2
[M+HCOO]- 201.033941 148.5
[M+CH3COO]- 215.049591 177.2
[M+Na-2H]- 177.010406 132.0
[M]+ 156.03519142 130.0
[M]- 156.03628858 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