CID 882501

1-(4-methoxyphenyl)-1h-pyrrole-2-carbaldehyde

Structural Information

Molecular Formula
C12H11NO2
SMILES
COC1=CC=C(C=C1)N2C=CC=C2C=O
InChI
InChI=1S/C12H11NO2/c1-15-12-6-4-10(5-7-12)13-8-2-3-11(13)9-14/h2-9H,1H3
InChIKey
VBOUNTHJXKGWSS-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)pyrrole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

201.07898 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.08626 141.4
[M+Na]+ 224.06820 150.9
[M-H]- 200.07170 147.4
[M+NH4]+ 219.11280 161.2
[M+K]+ 240.04214 148.1
[M+H-H2O]+ 184.07624 134.2
[M+HCOO]- 246.07718 166.6
[M+CH3COO]- 260.09283 184.0
[M+Na-2H]- 222.05365 146.6
[M]+ 201.07843 144.0
[M]- 201.07953 144.0
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

No patent data available for this compound.