CID 25130828

883195-38-8

Structural Information

Molecular Formula

C₈H₁₀N₂OS

SMILES

C1CCC(=O)C2=C(C1)N=C(S2)N

InChI

InChI=1S/C8H10N2OS/c9-8-10-5-3-1-2-4-6(11)7(5)12-8/h1-4H2,(H2,9,10)

InChIKey

NFAOGEPIABIIAN-UHFFFAOYSA-N

Compound name

2-amino-4,5,6,7-tetrahydrocyclohepta[d][1,3]thiazol-8-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 182.05139 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]+	183.05867	136.0
[M+Na]+	205.04061	144.2
[M+NH4]+	200.08521	144.2
[M+K]+	221.01455	140.1
[M-H]-	181.04411	137.6
[M+Na-2H]-	203.02606	139.7
[M]+	182.05084	137.8
[M]-	182.05194	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe