CID 43364000

2-(1,3-thiazol-2-yloxy)aniline

Structural Information

Molecular Formula
C9H8N2OS
SMILES
C1=CC=C(C(=C1)N)OC2=NC=CS2
InChI
InChI=1S/C9H8N2OS/c10-7-3-1-2-4-8(7)12-9-11-5-6-13-9/h1-6H,10H2
InChIKey
JPDAKQMTWGAVEY-UHFFFAOYSA-N
Compound name
2-(1,3-thiazol-2-yloxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.03574 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.04302 137.1
[M+Na]+ 215.02496 146.6
[M-H]- 191.02846 143.0
[M+NH4]+ 210.06956 157.3
[M+K]+ 230.99890 143.1
[M+H-H2O]+ 175.03300 130.3
[M+HCOO]- 237.03394 158.3
[M+CH3COO]- 251.04959 151.1
[M+Na-2H]- 213.01041 140.9
[M]+ 192.03519 138.3
[M]- 192.03629 138.3
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.