CID 135743706

2-(5-aminoisoxazol-3-yl)phenol

Structural Information

Molecular Formula
C9H8N2O2
SMILES
C1=CC=C(C(=C1)C2=NOC(=C2)N)O
InChI
InChI=1S/C9H8N2O2/c10-9-5-7(11-13-9)6-3-1-2-4-8(6)12/h1-5,12H,10H2
InChIKey
GBKYOYOKBWCLMJ-UHFFFAOYSA-N
Compound name
2-(5-amino-1,2-oxazol-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.05858 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06586 133.8
[M+Na]+ 199.04780 143.2
[M-H]- 175.05130 139.1
[M+NH4]+ 194.09240 152.1
[M+K]+ 215.02174 141.1
[M+H-H2O]+ 159.05584 127.1
[M+HCOO]- 221.05678 157.8
[M+CH3COO]- 235.07243 147.9
[M+Na-2H]- 197.03325 140.4
[M]+ 176.05803 133.2
[M]- 176.05913 133.2
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.