CID 132353898

Rac-(4r,6s)-4,6-dimethyl-4h,6h,7h-pyrano[4,3-d][1,3]thiazol-2-amine

Structural Information

Molecular Formula
C8H12N2OS
SMILES
C[C@@H]1CC2=C([C@@H](O1)C)SC(=N2)N
InChI
InChI=1S/C8H12N2OS/c1-4-3-6-7(5(2)11-4)12-8(9)10-6/h4-5H,3H2,1-2H3,(H2,9,10)/t4-,5+/m1/s1
InChIKey
UFYIWZHJBCLUKF-UHNVWZDZSA-N
Compound name
(4S,6R)-4,6-dimethyl-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.06703 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.074306 136.7
[M+Na]+ 207.056248 146.4
[M-H]- 183.059754 140.7
[M+NH4]+ 202.100853 157.7
[M+K]+ 223.030188 144.7
[M+H-H2O]+ 167.064290 131.6
[M+HCOO]- 229.065231 152.8
[M+CH3COO]- 243.080881 150.4
[M+Na-2H]- 205.041696 139.2
[M]+ 184.06648142 137.4
[M]- 184.06757858 137.4
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.