CID 45121902

(6s)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine dihydrochloride

Structural Information

Molecular Formula
C7H10N2S
SMILES
C1CC2=C(CC1N)SC=N2
InChI
InChI=1S/C7H10N2S/c8-5-1-2-6-7(3-5)10-4-9-6/h4-5H,1-3,8H2
InChIKey
MLHMXNRCJFPJOB-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

154.05647 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.06375 128.4
[M+Na]+ 177.04569 136.8
[M-H]- 153.04919 131.2
[M+NH4]+ 172.09029 151.3
[M+K]+ 193.01963 134.0
[M+H-H2O]+ 137.05373 122.9
[M+HCOO]- 199.05467 145.5
[M+CH3COO]- 213.07032 141.9
[M+Na-2H]- 175.03114 132.0
[M]+ 154.05592 126.1
[M]- 154.05702 126.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe