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]+ 211.086596 145.0
[M+Na]+ 233.068538 154.9
[M-H]- 209.072044 146.2
[M+NH4]+ 228.113143 162.9
[M+K]+ 249.042478 149.7
[M+H-H2O]+ 193.076580 137.3
[M+HCOO]- 255.077521 163.1
[M+CH3COO]- 269.093171 157.3
[M+Na-2H]- 231.053986 154.8
[M]+ 210.07877142 145.6
[M]- 210.07986858 145.6
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.