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

98
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 134.9
[M+Na]+ 196.07328 143.7
[M-H]- 172.07678 140.7
[M+NH4]+ 191.11788 155.6
[M+K]+ 212.04722 141.2
[M+H-H2O]+ 156.08132 127.8
[M+HCOO]- 218.08226 160.1
[M+CH3COO]- 232.09791 178.8
[M+Na-2H]- 194.05873 141.4
[M]+ 173.08351 136.0
[M]- 173.08461 136.0
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

patents stripe