CID 31572

22916-24-1

Structural Information

Molecular Formula
C10H11NOS
SMILES
C1CSC(N1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C10H11NOS/c12-9(10-11-6-7-13-10)8-4-2-1-3-5-8/h1-5,10-11H,6-7H2
InChIKey
HIUSWODEPNJBTG-UHFFFAOYSA-N
Compound name
phenyl(1,3-thiazolidin-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

193.05614 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.063416 141.4
[M+Na]+ 216.045358 147.8
[M-H]- 192.048864 145.2
[M+NH4]+ 211.089963 160.8
[M+K]+ 232.019298 144.3
[M+H-H2O]+ 176.053400 135.0
[M+HCOO]- 238.054341 156.7
[M+CH3COO]- 252.069991 153.4
[M+Na-2H]- 214.030806 142.2
[M]+ 193.05559142 138.3
[M]- 193.05668858 138.3
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