CID 112677187

2-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propan-2-amine

Structural Information

Molecular Formula
C13H15FN2S
SMILES
CC1=C(N=C(S1)C(C)(C)N)C2=CC=CC=C2F
InChI
InChI=1S/C13H15FN2S/c1-8-11(9-6-4-5-7-10(9)14)16-12(17-8)13(2,3)15/h4-7H,15H2,1-3H3
InChIKey
OZEOZHVJDUKWJV-UHFFFAOYSA-N
Compound name
2-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.094 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.10128 155.0
[M+Na]+ 273.08322 165.0
[M-H]- 249.08672 159.8
[M+NH4]+ 268.12782 173.5
[M+K]+ 289.05716 160.0
[M+H-H2O]+ 233.09126 147.7
[M+HCOO]- 295.09220 171.9
[M+CH3COO]- 309.10785 195.9
[M+Na-2H]- 271.06867 155.5
[M]+ 250.09345 155.4
[M]- 250.09455 155.4
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.