CID 90072

4-(1h-pyrrol-1-yl)phenol

Structural Information

Molecular Formula
C10H9NO
SMILES
C1=CN(C=C1)C2=CC=C(C=C2)O
InChI
InChI=1S/C10H9NO/c12-10-5-3-9(4-6-10)11-7-1-2-8-11/h1-8,12H
InChIKey
SSRBBYUGRMSIBT-UHFFFAOYSA-N
Compound name
4-pyrrol-1-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

134
Patents

159.06842 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.07570 132.3
[M+Na]+ 182.05764 146.2
[M+NH4]+ 177.10224 141.6
[M+K]+ 198.03158 141.0
[M-H]- 158.06114 135.8
[M+Na-2H]- 180.04309 141.5
[M]+ 159.06787 135.3
[M]- 159.06897 135.3
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

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