CID 58921

6-acetylperimidine hydrochloride

Structural Information

Molecular Formula
C13H10N2O
SMILES
CC(=C1C=CC2=NC=NC3=CC=CC1=C23)O
InChI
InChI=1S/C13H10N2O/c1-8(16)9-5-6-12-13-10(9)3-2-4-11(13)14-7-15-12/h2-7,16H,1H3
InChIKey
PACQJYVCAJMUMM-UHFFFAOYSA-N
Compound name
1-perimidin-6-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 145.0
[M+Na]+ 233.06854 154.9
[M-H]- 209.07204 146.2
[M+NH4]+ 228.11314 162.9
[M+K]+ 249.04248 149.7
[M+H-H2O]+ 193.07658 137.3
[M+HCOO]- 255.07752 163.1
[M+CH3COO]- 269.09317 157.3
[M+Na-2H]- 231.05399 154.8
[M]+ 210.07877 145.6
[M]- 210.07987 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.