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]+ 228.10192 149.1
[M+Na]+ 250.08386 158.7
[M-H]- 226.08736 155.4
[M+NH4]+ 245.12846 168.0
[M+K]+ 266.05780 155.3
[M+H-H2O]+ 210.09190 142.1
[M+HCOO]- 272.09284 172.9
[M+CH3COO]- 286.10849 191.2
[M+Na-2H]- 248.06931 151.4
[M]+ 227.09409 151.6
[M]- 227.09519 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.