CID 836717

N-(4-hydroxyphenyl)-2-methoxyacetamide

Structural Information

Molecular Formula
C9H11NO3
SMILES
COCC(=O)NC1=CC=C(C=C1)O
InChI
InChI=1S/C9H11NO3/c1-13-6-9(12)10-7-2-4-8(11)5-3-7/h2-5,11H,6H2,1H3,(H,10,12)
InChIKey
NSZUGQROUUTGGI-UHFFFAOYSA-N
Compound name
N-(4-hydroxyphenyl)-2-methoxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
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 136.8
[M+Na]+ 204.06312 143.8
[M-H]- 180.06662 139.3
[M+NH4]+ 199.10772 155.8
[M+K]+ 220.03706 142.4
[M+H-H2O]+ 164.07116 130.8
[M+HCOO]- 226.07210 160.8
[M+CH3COO]- 240.08775 180.1
[M+Na-2H]- 202.04857 142.8
[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