CID 498571

Nsc631455

Structural Information

Molecular Formula
C12H10N2O
SMILES
C1=CC=C(C=C1)N=CC2=C(C=CC=N2)O
InChI
InChI=1S/C12H10N2O/c15-12-7-4-8-13-11(12)9-14-10-5-2-1-3-6-10/h1-9,15H
InChIKey
ZCQXXOYXMZMSJR-UHFFFAOYSA-N
Compound name
2-(phenyliminomethyl)pyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.07932 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.08660 141.2
[M+Na]+ 221.06854 149.2
[M-H]- 197.07204 146.8
[M+NH4]+ 216.11314 158.6
[M+K]+ 237.04248 145.4
[M+H-H2O]+ 181.07658 133.1
[M+HCOO]- 243.07752 166.5
[M+CH3COO]- 257.09317 185.1
[M+Na-2H]- 219.05399 150.2
[M]+ 198.07877 140.4
[M]- 198.07987 140.4
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.