CID 11820020

6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

Structural Information

Molecular Formula
C10H16N2S
SMILES
CCCC1CCC2=C(C1)SC(=N2)N
InChI
InChI=1S/C10H16N2S/c1-2-3-7-4-5-8-9(6-7)13-10(11)12-8/h7H,2-6H2,1H3,(H2,11,12)
InChIKey
JBMJUFXLQKSCQL-UHFFFAOYSA-N
Compound name
6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

196.10342 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.11070 141.9
[M+Na]+ 219.09264 149.9
[M-H]- 195.09614 144.6
[M+NH4]+ 214.13724 163.5
[M+K]+ 235.06658 146.3
[M+H-H2O]+ 179.10068 136.1
[M+HCOO]- 241.10162 158.0
[M+CH3COO]- 255.11727 154.4
[M+Na-2H]- 217.07809 143.3
[M]+ 196.10287 141.0
[M]- 196.10397 141.0
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