CID 5027838

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

Structural Information

Molecular Formula
C11H12N2S
SMILES
CC(C1=NC(=CS1)C2=CC=CC=C2)N
InChI
InChI=1S/C11H12N2S/c1-8(12)11-13-10(7-14-11)9-5-3-2-4-6-9/h2-8H,12H2,1H3
InChIKey
UYFMXZVUEUHZLJ-UHFFFAOYSA-N
Compound name
1-(4-phenyl-1,3-thiazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

204.07211 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.07939 143.3
[M+Na]+ 227.06133 151.7
[M-H]- 203.06483 148.9
[M+NH4]+ 222.10593 163.0
[M+K]+ 243.03527 147.8
[M+H-H2O]+ 187.06937 136.4
[M+HCOO]- 249.07031 162.5
[M+CH3COO]- 263.08596 156.4
[M+Na-2H]- 225.04678 144.9
[M]+ 204.07156 143.2
[M]- 204.07266 143.2
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

patents stripe