CID 908064

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

Structural Information

Molecular Formula
C8H12N2OS
SMILES
CC1(CC2=C(CO1)SC(=N2)N)C
InChI
InChI=1S/C8H12N2OS/c1-8(2)3-5-6(4-11-8)12-7(9)10-5/h3-4H2,1-2H3,(H2,9,10)
InChIKey
VKOKEBAIQACFBN-UHFFFAOYSA-N
Compound name
6,6-dimethyl-4,7-dihydropyrano[4,3-d][1,3]thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

184.06703 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07431 135.2
[M+Na]+ 207.05625 144.9
[M-H]- 183.05975 139.1
[M+NH4]+ 202.10085 157.9
[M+K]+ 223.03019 143.4
[M+H-H2O]+ 167.06429 130.5
[M+HCOO]- 229.06523 151.3
[M+CH3COO]- 243.08088 149.0
[M+Na-2H]- 205.04170 139.9
[M]+ 184.06648 135.9
[M]- 184.06758 135.9
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