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]+ 185.07431 136.7
[M+Na]+ 207.05625 146.4
[M-H]- 183.05975 140.7
[M+NH4]+ 202.10085 157.7
[M+K]+ 223.03019 144.7
[M+H-H2O]+ 167.06429 131.6
[M+HCOO]- 229.06523 152.8
[M+CH3COO]- 243.08088 150.4
[M+Na-2H]- 205.04170 139.2
[M]+ 184.06648 137.4
[M]- 184.06758 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.