CID 86660

17899-33-1

Structural Information

Molecular Formula
C11H14N2OS
SMILES
C1CSC(=N)N1CC(C2=CC=CC=C2)O
InChI
InChI=1S/C11H14N2OS/c12-11-13(6-7-15-11)8-10(14)9-4-2-1-3-5-9/h1-5,10,12,14H,6-8H2
InChIKey
UTHQDRBQLOYOFO-UHFFFAOYSA-N
Compound name
2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

222.08269 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.08997 148.6
[M+Na]+ 245.07191 154.6
[M-H]- 221.07541 152.5
[M+NH4]+ 240.11651 166.8
[M+K]+ 261.04585 150.5
[M+H-H2O]+ 205.07995 141.8
[M+HCOO]- 267.08089 164.5
[M+CH3COO]- 281.09654 185.4
[M+Na-2H]- 243.05736 149.0
[M]+ 222.08214 145.5
[M]- 222.08324 145.5
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

No patent data available for this compound.