CID 11568

3-aminophenol

Structural Information

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

2D Structure

compound 2d structure
8
Annotation Hits

137
References

46321
Patents

109.052765 Da
Monoisotopic Mass

0.2
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

literature stripe

Patent stripe

patents stripe