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
2
Annotation Hits

2
References

139
Patents

159.06842 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.075696 130.7
[M+Na]+ 182.057638 139.6
[M-H]- 158.061144 135.3
[M+NH4]+ 177.102243 151.4
[M+K]+ 198.031578 136.4
[M+H-H2O]+ 142.065680 124.1
[M+HCOO]- 204.066621 154.8
[M+CH3COO]- 218.082271 144.9
[M+Na-2H]- 180.043086 137.3
[M]+ 159.06787142 129.7
[M]- 159.06896858 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

literature stripe

Patent stripe

patents stripe