CID 36317

33077-70-2

Structural Information

Molecular Formula
C12H9NO2
SMILES
C1=CC=NC(=C1)C(=O)C2=CC=C(C=C2)O
InChI
InChI=1S/C12H9NO2/c14-10-6-4-9(5-7-10)12(15)11-3-1-2-8-13-11/h1-8,14H
InChIKey
ADNZLHSXIAPURS-UHFFFAOYSA-N
Compound name
(4-hydroxyphenyl)-pyridin-2-ylmethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

199.06332 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.070596 140.9
[M+Na]+ 222.052538 148.9
[M-H]- 198.056044 145.3
[M+NH4]+ 217.097143 157.7
[M+K]+ 238.026478 145.3
[M+H-H2O]+ 182.060580 133.4
[M+HCOO]- 244.061521 162.8
[M+CH3COO]- 258.077171 181.3
[M+Na-2H]- 220.037986 147.8
[M]+ 199.06277142 139.9
[M]- 199.06386858 139.9
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