CID 457418

4-(pyrrol-1-ylamino)phenol

Structural Information

Molecular Formula
C10H10N2O
SMILES
C1=CN(C=C1)NC2=CC=C(C=C2)O
InChI
InChI=1S/C10H10N2O/c13-10-5-3-9(4-6-10)11-12-7-1-2-8-12/h1-8,11,13H
InChIKey
LCVYXMYHLRZUGJ-UHFFFAOYSA-N
Compound name
4-(pyrrol-1-ylamino)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

174.07932 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.08660 134.2
[M+Na]+ 197.06854 142.1
[M-H]- 173.07204 138.7
[M+NH4]+ 192.11314 153.8
[M+K]+ 213.04248 138.7
[M+H-H2O]+ 157.07658 127.0
[M+HCOO]- 219.07752 159.2
[M+CH3COO]- 233.09317 177.9
[M+Na-2H]- 195.05399 141.3
[M]+ 174.07877 132.4
[M]- 174.07987 132.4
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.