CID 4003387

1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethan-1-amine

Structural Information

Molecular Formula
C11H11BrN2S
SMILES
CC(C1=NC(=CS1)C2=CC=C(C=C2)Br)N
InChI
InChI=1S/C11H11BrN2S/c1-7(13)11-14-10(6-15-11)8-2-4-9(12)5-3-8/h2-7H,13H2,1H3
InChIKey
KUWRUGPKOMAJOU-UHFFFAOYSA-N
Compound name
1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.98264 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.98992 148.2
[M+Na]+ 304.97186 160.8
[M-H]- 280.97536 156.7
[M+NH4]+ 300.01646 168.9
[M+K]+ 320.94580 148.2
[M+H-H2O]+ 264.97990 147.7
[M+HCOO]- 326.98084 165.4
[M+CH3COO]- 340.99649 163.1
[M+Na-2H]- 302.95731 151.1
[M]+ 281.98209 167.2
[M]- 281.98319 167.2
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.