CID 721092

88877-61-6

Structural Information

Molecular Formula
C13H10N2O2
SMILES
C1=CC=C2C(=C1)N=C(O2)C3=C(C=C(C=C3)N)O
InChI
InChI=1S/C13H10N2O2/c14-8-5-6-9(11(16)7-8)13-15-10-3-1-2-4-12(10)17-13/h1-7,16H,14H2
InChIKey
KUANTGJTSYDEOS-UHFFFAOYSA-N
Compound name
5-amino-2-(1,3-benzoxazol-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

226.07423 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08151 146.4
[M+Na]+ 249.06345 157.5
[M-H]- 225.06695 153.1
[M+NH4]+ 244.10805 164.0
[M+K]+ 265.03739 153.7
[M+H-H2O]+ 209.07149 139.4
[M+HCOO]- 271.07243 170.3
[M+CH3COO]- 285.08808 160.3
[M+Na-2H]- 247.04890 154.0
[M]+ 226.07368 148.0
[M]- 226.07478 148.0
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