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

138
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 130.7
[M+Na]+ 182.05764 139.6
[M-H]- 158.06114 135.3
[M+NH4]+ 177.10224 151.4
[M+K]+ 198.03158 136.4
[M+H-H2O]+ 142.06568 124.1
[M+HCOO]- 204.06662 154.8
[M+CH3COO]- 218.08227 144.9
[M+Na-2H]- 180.04309 137.3
[M]+ 159.06787 129.7
[M]- 159.06897 129.7
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

No patent data available for this compound.