CID 5801

2-aminophenol

Structural Information

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

2D Structure

compound 2d structure
8
Annotation Hits

486
References

126545
Patents

109.052765 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.06004 117.9
[M+Na]+ 132.04198 126.3
[M-H]- 108.04549 120.4
[M+NH4]+ 127.08659 139.9
[M+K]+ 148.01592 124.4
[M+H-H2O]+ 92.050025 113.1
[M+HCOO]- 154.05097 142.7
[M+CH3COO]- 168.06662 166.8
[M+Na-2H]- 130.02743 125.9
[M]+ 109.05222 114.9
[M]- 109.05331 114.9
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.