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

126847
Patents

109.052765 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.060041 117.9
[M+Na]+ 132.041983 126.3
[M-H]- 108.045489 120.4
[M+NH4]+ 127.086588 139.9
[M+K]+ 148.015923 124.4
[M+H-H2O]+ 92.050025 113.1
[M+HCOO]- 154.050966 142.7
[M+CH3COO]- 168.066616 166.8
[M+Na-2H]- 130.027431 125.9
[M]+ 109.05221642 114.9
[M]- 109.05331358 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

literature stripe

Patent stripe

patents stripe