CID 62079696

2-ethyl-n-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

Structural Information

Molecular Formula
C10H16N2S
SMILES
CCC1=NC2=C(S1)C(CCC2)NC
InChI
InChI=1S/C10H16N2S/c1-3-9-12-8-6-4-5-7(11-2)10(8)13-9/h7,11H,3-6H2,1-2H3
InChIKey
CMHADCHORCQGAC-UHFFFAOYSA-N
Compound name
2-ethyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.10342 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.110696 141.6
[M+Na]+ 219.092638 149.5
[M-H]- 195.096144 144.8
[M+NH4]+ 214.137243 163.4
[M+K]+ 235.066578 146.3
[M+H-H2O]+ 179.100680 135.7
[M+HCOO]- 241.101621 158.2
[M+CH3COO]- 255.117271 185.9
[M+Na-2H]- 217.078086 144.0
[M]+ 196.10287142 141.7
[M]- 196.10396858 141.7
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.