CID 22693689

850852-86-7

Structural Information

Molecular Formula
C11H10N2O2S
SMILES
CC1=C(N=C(S1)N)C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C11H10N2O2S/c1-6-10(13-11(12)16-6)7-2-3-8-9(4-7)15-5-14-8/h2-4H,5H2,1H3,(H2,12,13)
InChIKey
OYDIWYBKYNFSAJ-UHFFFAOYSA-N
Compound name
4-(1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.0463 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.05358 148.2
[M+Na]+ 257.03552 159.4
[M-H]- 233.03902 157.0
[M+NH4]+ 252.08012 167.6
[M+K]+ 273.00946 158.1
[M+H-H2O]+ 217.04356 143.5
[M+HCOO]- 279.04450 166.8
[M+CH3COO]- 293.06015 162.6
[M+Na-2H]- 255.02097 150.6
[M]+ 234.04575 152.2
[M]- 234.04685 152.2
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.