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]+ 208.079076 143.6
[M+Na]+ 230.061018 153.0
[M-H]- 206.064524 149.8
[M+NH4]+ 225.105623 164.1
[M+K]+ 246.034958 149.9
[M+H-H2O]+ 190.069060 137.1
[M+HCOO]- 252.070001 162.4
[M+CH3COO]- 266.085651 184.0
[M+Na-2H]- 228.046466 145.0
[M]+ 207.07125142 146.2
[M]- 207.07234858 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.