CID 4105139

2'-hydroxy-4'-methoxyacetanilide

Structural Information

Molecular Formula
C9H11NO3
SMILES
CC(=O)NC1=C(C=C(C=C1)OC)O
InChI
InChI=1S/C9H11NO3/c1-6(11)10-8-4-3-7(13-2)5-9(8)12/h3-5,12H,1-2H3,(H,10,11)
InChIKey
PHOAIOPTKPVQOB-UHFFFAOYSA-N
Compound name
N-(2-hydroxy-4-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

181.0739 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.08118 136.4
[M+Na]+ 204.06312 144.3
[M-H]- 180.06662 139.3
[M+NH4]+ 199.10772 155.7
[M+K]+ 220.03706 143.0
[M+H-H2O]+ 164.07116 130.7
[M+HCOO]- 226.07210 160.3
[M+CH3COO]- 240.08775 181.3
[M+Na-2H]- 202.04857 141.7
[M]+ 181.07335 137.3
[M]- 181.07445 137.3
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