CID 120269

Thiazoline

Structural Information

Molecular Formula
C3H5NS
SMILES
C1CSC=N1
InChI
InChI=1S/C3H5NS/c1-2-5-3-4-1/h3H,1-2H2
InChIKey
CBDKQYKMCICBOF-UHFFFAOYSA-N
Compound name
4,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

118
References

116579
Patents

87.01427 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 88.021546 112.3
[M+Na]+ 110.00349 121.0
[M-H]- 86.006994 115.0
[M+NH4]+ 105.04809 137.0
[M+K]+ 125.97743 120.6
[M+H-H2O]+ 70.011530 107.0
[M+HCOO]- 132.01247 131.7
[M+CH3COO]- 146.02812 159.5
[M+Na-2H]- 107.98894 117.2
[M]+ 87.013721 111.9
[M]- 87.014819 111.9
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