CID 17820

3-amino-4-methylphenol

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

1
References

741
Patents

123.06841 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.07569 122.3
[M+Na]+ 146.05763 134.9
[M+NH4]+ 141.10223 131.3
[M+K]+ 162.03157 129.1
[M-H]- 122.06113 125.0
[M+Na-2H]- 144.04308 129.4
[M]+ 123.06786 124.7
[M]- 123.06896 124.7
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