CID 208013

2-(1,3-thiazolidin-2-yl)phenol

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]+ 182.06342 137.0
[M+Na]+ 204.04536 144.4
[M-H]- 180.04886 139.9
[M+NH4]+ 199.08996 156.7
[M+K]+ 220.01930 140.2
[M+H-H2O]+ 164.05340 131.2
[M+HCOO]- 226.05434 152.0
[M+CH3COO]- 240.06999 149.3
[M+Na-2H]- 202.03081 138.4
[M]+ 181.05559 133.4
[M]- 181.05669 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