CID 45906

Naphthiazole, 5,6,7,8-tetrahydro-2-amino-, hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₂N₂S

SMILES

C1CCC2=CC3=C(C=C2C1)N=C(S3)N

InChI

InChI=1S/C11H12N2S/c12-11-13-9-5-7-3-1-2-4-8(7)6-10(9)14-11/h5-6H,1-4H2,(H2,12,13)

InChIKey

HJESYBABQHCPFU-UHFFFAOYSA-N

Compound name

5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 204.07211 Da
Monoisotopic Mass: 3.4
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]+	205.079386	139.0
[M+Na]+	227.061328	149.2
[M-H]-	203.064834	143.2
[M+NH4]+	222.105933	161.4
[M+K]+	243.035268	144.5
[M+H-H2O]+	187.069370	133.4
[M+HCOO]-	249.070311	156.3
[M+CH3COO]-	263.085961	152.5
[M+Na-2H]-	225.046776	144.3
[M]+	204.07156142	139.1
[M]-	204.07265858	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe