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

49
Patents

168.07211 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.079386 133.1
[M+Na]+ 191.061328 141.9
[M-H]- 167.064834 136.1
[M+NH4]+ 186.105933 155.7
[M+K]+ 207.035268 138.8
[M+H-H2O]+ 151.069370 127.6
[M+HCOO]- 213.070311 149.8
[M+CH3COO]- 227.085961 146.5
[M+Na-2H]- 189.046776 135.5
[M]+ 168.07156142 131.5
[M]- 168.07265858 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