CID 3798870

383136-27-4

Structural Information

Molecular Formula
C9H7N3O
SMILES
C1=CN=C(N=C1)N2C=CC=C2C=O
InChI
InChI=1S/C9H7N3O/c13-7-8-3-1-6-12(8)9-10-4-2-5-11-9/h1-7H
InChIKey
RYDIJFWGFYURLN-UHFFFAOYSA-N
Compound name
1-pyrimidin-2-ylpyrrole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

173.05891 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.06619 133.7
[M+Na]+ 196.04813 143.7
[M-H]- 172.05163 136.9
[M+NH4]+ 191.09273 151.5
[M+K]+ 212.02207 140.7
[M+H-H2O]+ 156.05617 125.0
[M+HCOO]- 218.05711 157.0
[M+CH3COO]- 232.07276 147.4
[M+Na-2H]- 194.03358 141.1
[M]+ 173.05836 134.4
[M]- 173.05946 134.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe