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

literature stripe

Patent stripe

patents stripe