CID 124203213

1-(2-oxo-2-phenylethyl)-1h-pyrrole-2-carbaldehyde

Structural Information

Molecular Formula
C13H11NO2
SMILES
C1=CC=C(C=C1)C(=O)CN2C=CC=C2C=O
InChI
InChI=1S/C13H11NO2/c15-10-12-7-4-8-14(12)9-13(16)11-5-2-1-3-6-11/h1-8,10H,9H2
InChIKey
FYKNTVQRXPNYDG-UHFFFAOYSA-N
Compound name
1-phenacylpyrrole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

213.07898 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.08626 145.8
[M+Na]+ 236.06820 153.9
[M-H]- 212.07170 151.4
[M+NH4]+ 231.11280 164.6
[M+K]+ 252.04214 150.7
[M+H-H2O]+ 196.07624 138.3
[M+HCOO]- 258.07718 169.9
[M+CH3COO]- 272.09283 185.9
[M+Na-2H]- 234.05365 149.9
[M]+ 213.07843 147.0
[M]- 213.07953 147.0
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

patents stripe