CID 88825

1-(4-hydroxyphenyl)-2-(methylamino)ethan-1-one

Structural Information

Molecular Formula
C9H11NO2
SMILES
CNCC(=O)C1=CC=C(C=C1)O
InChI
InChI=1S/C9H11NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,10-11H,6H2,1H3
InChIKey
MTQOKMDKQJVMSO-UHFFFAOYSA-N
Compound name
1-(4-hydroxyphenyl)-2-(methylamino)ethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

41
Patents

165.07898 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.086256 133.7
[M+Na]+ 188.068198 140.7
[M-H]- 164.071704 136.2
[M+NH4]+ 183.112803 153.3
[M+K]+ 204.042138 138.7
[M+H-H2O]+ 148.076240 128.0
[M+HCOO]- 210.077181 157.4
[M+CH3COO]- 224.092831 178.7
[M+Na-2H]- 186.053646 139.7
[M]+ 165.07843142 132.8
[M]- 165.07952858 132.8
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