CID 3059961

4,5,6,7-tetrahydro-6-benzothiazolemethanamine hydrochloride

Structural Information

Molecular Formula
C8H12N2S
SMILES
C1CC2=C(CC1CN)SC=N2
InChI
InChI=1S/C8H12N2S/c9-4-6-1-2-7-8(3-6)11-5-10-7/h5-6H,1-4,9H2
InChIKey
KZMOYPDEKDQCQQ-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydro-1,3-benzothiazol-6-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

168.07211 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.07939 132.8
[M+Na]+ 191.06133 140.8
[M-H]- 167.06483 135.5
[M+NH4]+ 186.10593 155.2
[M+K]+ 207.03527 137.7
[M+H-H2O]+ 151.06937 127.1
[M+HCOO]- 213.07031 149.6
[M+CH3COO]- 227.08596 145.9
[M+Na-2H]- 189.04678 135.9
[M]+ 168.07156 130.9
[M]- 168.07266 130.9
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

patents stripe