CID 83706034

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

Structural Information

Molecular Formula
C12H14N2S
SMILES
CC(C)(C1=CSC(=N1)C2=CC=CC=C2)N
InChI
InChI=1S/C12H14N2S/c1-12(2,13)10-8-15-11(14-10)9-6-4-3-5-7-9/h3-8H,13H2,1-2H3
InChIKey
NSYPSGDEJDWNRS-UHFFFAOYSA-N
Compound name
2-(2-phenyl-1,3-thiazol-4-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.08777 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.09505 148.5
[M+Na]+ 241.07699 157.2
[M-H]- 217.08049 154.2
[M+NH4]+ 236.12159 167.8
[M+K]+ 257.05093 153.0
[M+H-H2O]+ 201.08503 141.9
[M+HCOO]- 263.08597 166.9
[M+CH3COO]- 277.10162 188.0
[M+Na-2H]- 239.06244 151.4
[M]+ 218.08722 148.8
[M]- 218.08832 148.8
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.