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

0
Patents

204.07211 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.07939 139.5
[M+Na]+ 227.06133 152.7
[M+NH4]+ 222.10593 150.6
[M+K]+ 243.03527 144.8
[M-H]- 203.06483 143.7
[M+Na-2H]- 225.04678 145.7
[M]+ 204.07156 143.1
[M]- 204.07266 143.1
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.