CID 11107082

1-methyl-4-[(4-methylphenyl)carbonyl]-1h-pyrrole-2-carbaldehyde

Structural Information

Molecular Formula
C14H13NO2
SMILES
CC1=CC=C(C=C1)C(=O)C2=CN(C(=C2)C=O)C
InChI
InChI=1S/C14H13NO2/c1-10-3-5-11(6-4-10)14(17)12-7-13(9-16)15(2)8-12/h3-9H,1-2H3
InChIKey
HJSNZFJOGNZNAM-UHFFFAOYSA-N
Compound name
1-methyl-4-(4-methylbenzoyl)pyrrole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.09464 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.101916 149.1
[M+Na]+ 250.083858 158.7
[M-H]- 226.087364 155.4
[M+NH4]+ 245.128463 168.0
[M+K]+ 266.057798 155.3
[M+H-H2O]+ 210.091900 142.1
[M+HCOO]- 272.092841 172.9
[M+CH3COO]- 286.108491 191.2
[M+Na-2H]- 248.069306 151.4
[M]+ 227.09409142 151.6
[M]- 227.09518858 151.6
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.