CID 346922

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

Structural Information

Molecular Formula
C8H12N2S
SMILES
CC1CCC2=C(C1)SC(=N2)N
InChI
InChI=1S/C8H12N2S/c1-5-2-3-6-7(4-5)11-8(9)10-6/h5H,2-4H2,1H3,(H2,9,10)
InChIKey
PWQFLEIGKAIACN-UHFFFAOYSA-N
Compound name
6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

168.07211 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.07939 133.1
[M+Na]+ 191.06133 141.9
[M-H]- 167.06483 136.1
[M+NH4]+ 186.10593 155.7
[M+K]+ 207.03527 138.8
[M+H-H2O]+ 151.06937 127.6
[M+HCOO]- 213.07031 149.8
[M+CH3COO]- 227.08596 146.5
[M+Na-2H]- 189.04678 135.5
[M]+ 168.07156 131.5
[M]- 168.07266 131.5
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