CID 3018667

3-amino-5-methylphenol

Structural Information

Molecular Formula
C7H9NO
SMILES
CC1=CC(=CC(=C1)O)N
InChI
InChI=1S/C7H9NO/c1-5-2-6(8)4-7(9)3-5/h2-4,9H,8H2,1H3
InChIKey
NCUABBHFJSFKOJ-UHFFFAOYSA-N
Compound name
3-amino-5-methylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

814
Patents

123.06841 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.075686 122.3
[M+Na]+ 146.057628 131.3
[M-H]- 122.061134 125.1
[M+NH4]+ 141.102233 144.0
[M+K]+ 162.031568 129.1
[M+H-H2O]+ 106.065670 117.5
[M+HCOO]- 168.066611 146.7
[M+CH3COO]- 182.082261 171.0
[M+Na-2H]- 144.043076 129.0
[M]+ 123.06786142 120.1
[M]- 123.06895858 120.1
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