CID 43363991

4-(1,3-thiazol-2-yloxy)aniline

Structural Information

Molecular Formula
C9H8N2OS
SMILES
C1=CC(=CC=C1N)OC2=NC=CS2
InChI
InChI=1S/C9H8N2OS/c10-7-1-3-8(4-2-7)12-9-11-5-6-13-9/h1-6H,10H2
InChIKey
YKEZUUNVYCTDRU-UHFFFAOYSA-N
Compound name
4-(1,3-thiazol-2-yloxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

192.03574 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.043016 137.1
[M+Na]+ 215.024958 146.6
[M-H]- 191.028464 143.0
[M+NH4]+ 210.069563 157.3
[M+K]+ 230.998898 143.1
[M+H-H2O]+ 175.033000 130.3
[M+HCOO]- 237.033941 158.3
[M+CH3COO]- 251.049591 151.1
[M+Na-2H]- 213.010406 140.9
[M]+ 192.03519142 138.3
[M]- 192.03628858 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

patents stripe