CID 22224448

4h,6h,7h-pyrano[4,3-d][1,3]thiazol-2-amine

Structural Information

Molecular Formula
C6H8N2OS
SMILES
C1COCC2=C1N=C(S2)N
InChI
InChI=1S/C6H8N2OS/c7-6-8-4-1-2-9-3-5(4)10-6/h1-3H2,(H2,7,8)
InChIKey
HEBMTQWTUCFOEB-UHFFFAOYSA-N
Compound name
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

174
Patents

156.03574 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.043016 126.9
[M+Na]+ 179.024958 135.8
[M-H]- 155.028464 130.6
[M+NH4]+ 174.069563 148.5
[M+K]+ 194.998898 134.6
[M+H-H2O]+ 139.033000 121.6
[M+HCOO]- 201.033941 143.8
[M+CH3COO]- 215.049591 140.8
[M+Na-2H]- 177.010406 131.9
[M]+ 156.03519142 126.2
[M]- 156.03628858 126.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe