CID 1497794

2-(4-phenyl-1,3-thiazol-2-yl)ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C11H12N2S
SMILES
C1=CC=C(C=C1)C2=CSC(=N2)CCN
InChI
InChI=1S/C11H12N2S/c12-7-6-11-13-10(8-14-11)9-4-2-1-3-5-9/h1-5,8H,6-7,12H2
InChIKey
PBZAFLUKYPTHFG-UHFFFAOYSA-N
Compound name
2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

13
Patents

204.07211 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.07939 142.4
[M+Na]+ 227.06133 151.3
[M-H]- 203.06483 148.0
[M+NH4]+ 222.10593 162.3
[M+K]+ 243.03527 146.8
[M+H-H2O]+ 187.06937 135.4
[M+HCOO]- 249.07031 162.8
[M+CH3COO]- 263.08596 155.7
[M+Na-2H]- 225.04678 145.2
[M]+ 204.07156 143.0
[M]- 204.07266 143.0
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