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]+ 205.079386 143.3
[M+Na]+ 227.061328 151.7
[M-H]- 203.064834 148.9
[M+NH4]+ 222.105933 163.0
[M+K]+ 243.035268 147.8
[M+H-H2O]+ 187.069370 136.4
[M+HCOO]- 249.070311 162.5
[M+CH3COO]- 263.085961 156.4
[M+Na-2H]- 225.046776 144.9
[M]+ 204.07156142 143.2
[M]- 204.07265858 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