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: 32
Patents: 222.08269 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe