CID 2050028

4-(phenoxymethyl)-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C10H10N2OS
SMILES
C1=CC=C(C=C1)OCC2=CSC(=N2)N
InChI
InChI=1S/C10H10N2OS/c11-10-12-8(7-14-10)6-13-9-4-2-1-3-5-9/h1-5,7H,6H2,(H2,11,12)
InChIKey
OAQVZJWKWGNLRJ-UHFFFAOYSA-N
Compound name
4-(phenoxymethyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

10
Patents

206.05139 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.058666 141.5
[M+Na]+ 229.040608 150.6
[M-H]- 205.044114 147.2
[M+NH4]+ 224.085213 161.1
[M+K]+ 245.014548 146.9
[M+H-H2O]+ 189.048650 134.5
[M+HCOO]- 251.049591 162.4
[M+CH3COO]- 265.065241 155.0
[M+Na-2H]- 227.026056 144.8
[M]+ 206.05084142 143.0
[M]- 206.05193858 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