CID 3080594

3-methoxyacetaminophen

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

70
Patents

181.0739 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.081176 136.4
[M+Na]+ 204.063118 144.3
[M-H]- 180.066624 139.3
[M+NH4]+ 199.107723 155.7
[M+K]+ 220.037058 143.0
[M+H-H2O]+ 164.071160 130.7
[M+HCOO]- 226.072101 160.3
[M+CH3COO]- 240.087751 181.3
[M+Na-2H]- 202.048566 141.7
[M]+ 181.07335142 137.3
[M]- 181.07444858 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