CID 16205982

Ns00092008

Structural Information

Molecular Formula
C11H14N2OS
SMILES
C1CSC(=N)N1C(CO)C2=CC=CC=C2
InChI
InChI=1S/C11H14N2OS/c12-11-13(6-7-15-11)10(8-14)9-4-2-1-3-5-9/h1-5,10,12,14H,6-8H2
InChIKey
VWBZXUVULAKRBT-UHFFFAOYSA-N
Compound name
2-(2-imino-1,3-thiazolidin-3-yl)-2-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.08269 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.089966 148.6
[M+Na]+ 245.071908 154.6
[M-H]- 221.075414 152.5
[M+NH4]+ 240.116513 166.8
[M+K]+ 261.045848 150.5
[M+H-H2O]+ 205.079950 141.8
[M+HCOO]- 267.080891 164.5
[M+CH3COO]- 281.096541 185.4
[M+Na-2H]- 243.057356 149.0
[M]+ 222.08214142 145.5
[M]- 222.08323858 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.