CID 58923

9-acetylperimidine hydrochloride

Structural Information

Molecular Formula
C13H10N2O
SMILES
CC(=C1C=CC2=C3C1=NC=NC3=CC=C2)O
InChI
InChI=1S/C13H10N2O/c1-8(16)10-6-5-9-3-2-4-11-12(9)13(10)15-7-14-11/h2-7,16H,1H3
InChIKey
OCTFDSNJWCDMQA-UHFFFAOYSA-N
Compound name
1-perimidin-4-ylideneethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.07932 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.08660 144.0
[M+Na]+ 233.06854 160.3
[M+NH4]+ 228.11314 153.3
[M+K]+ 249.04248 152.3
[M-H]- 209.07204 146.2
[M+Na-2H]- 231.05399 151.4
[M]+ 210.07877 147.1
[M]- 210.07987 147.1
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.