CID 403

4-aminophenol

Structural Information

Molecular Formula
C6H7NO
SMILES
C1=CC(=CC=C1N)O
InChI
InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2
InChIKey
PLIKAWJENQZMHA-UHFFFAOYSA-N
Compound name
4-aminophenol
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

839
References

117835
Patents

109.052765 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.06004 118.0
[M+Na]+ 132.04198 130.4
[M+NH4]+ 127.08659 127.2
[M+K]+ 148.01592 124.7
[M-H]- 108.04549 120.7
[M+Na-2H]- 130.02743 125.6
[M]+ 109.05222 120.4
[M]- 109.05331 120.4
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