CID 3024544

Brn 4993173

Structural Information

Molecular Formula
C11H13NOS
SMILES
CC1=C(C=CC(=C1)C2=NCCS2)OC
InChI
InChI=1S/C11H13NOS/c1-8-7-9(3-4-10(8)13-2)11-12-5-6-14-11/h3-4,7H,5-6H2,1-2H3
InChIKey
XDHSIVNULGJESC-UHFFFAOYSA-N
Compound name
2-(4-methoxy-3-methylphenyl)-4,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.0718 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.07908 143.6
[M+Na]+ 230.06102 153.0
[M-H]- 206.06452 149.8
[M+NH4]+ 225.10562 164.1
[M+K]+ 246.03496 149.9
[M+H-H2O]+ 190.06906 137.1
[M+HCOO]- 252.07000 162.4
[M+CH3COO]- 266.08565 184.0
[M+Na-2H]- 228.04647 145.0
[M]+ 207.07125 146.2
[M]- 207.07235 146.2
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.