CID 272427

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

Structural Information

Molecular Formula
C11H11NO
SMILES
COC1=CC=C(C=C1)N2C=CC=C2
InChI
InChI=1S/C11H11NO/c1-13-11-6-4-10(5-7-11)12-8-2-3-9-12/h2-9H,1H3
InChIKey
WYFMHHMFUMBCGI-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

173.08406 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.09134 136.3
[M+Na]+ 196.07328 150.6
[M+NH4]+ 191.11788 145.9
[M+K]+ 212.04722 144.8
[M-H]- 172.07678 140.4
[M+Na-2H]- 194.05873 145.9
[M]+ 173.08351 139.6
[M]- 173.08461 139.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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