CID 15723708

2-[(2-formyl-1h-pyrrol-1-yl)methyl]benzonitrile

Structural Information

Molecular Formula
C13H10N2O
SMILES
C1=CC=C(C(=C1)CN2C=CC=C2C=O)C#N
InChI
InChI=1S/C13H10N2O/c14-8-11-4-1-2-5-12(11)9-15-7-3-6-13(15)10-16/h1-7,10H,9H2
InChIKey
ZKFILPCADGLNSG-UHFFFAOYSA-N
Compound name
2-[(2-formylpyrrol-1-yl)methyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.07932 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.08660 148.2
[M+Na]+ 233.06854 161.4
[M+NH4]+ 228.11314 153.0
[M+K]+ 249.04248 152.4
[M-H]- 209.07204 144.0
[M+Na-2H]- 231.05399 153.5
[M]+ 210.07877 148.0
[M]- 210.07987 148.0
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.