CID 208013

31404-06-5

Structural Information

Molecular Formula
C9H11NOS
SMILES
C1CSC(N1)C2=CC=CC=C2O
InChI
InChI=1S/C9H11NOS/c11-8-4-2-1-3-7(8)9-10-5-6-12-9/h1-4,9-11H,5-6H2
InChIKey
XTCNCKCBECUEBH-UHFFFAOYSA-N
Compound name
2-(1,3-thiazolidin-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

181.05614 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.063416 137.0
[M+Na]+ 204.045358 144.4
[M-H]- 180.048864 139.9
[M+NH4]+ 199.089963 156.7
[M+K]+ 220.019298 140.2
[M+H-H2O]+ 164.053400 131.2
[M+HCOO]- 226.054341 152.0
[M+CH3COO]- 240.069991 149.3
[M+Na-2H]- 202.030806 138.4
[M]+ 181.05559142 133.4
[M]- 181.05668858 133.4
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