CID 2466

Bufexamac

Structural Information

Molecular Formula
C12H17NO3
SMILES
CCCCOC1=CC=C(C=C1)CC(=O)NO
InChI
InChI=1S/C12H17NO3/c1-2-3-8-16-11-6-4-10(5-7-11)9-12(14)13-15/h4-7,15H,2-3,8-9H2,1H3,(H,13,14)
InChIKey
MXJWRABVEGLYDG-UHFFFAOYSA-N
Compound name
2-(4-butoxyphenyl)-N-hydroxyacetamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

131
References

9967
Patents

223.12085 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.128126 150.6
[M+Na]+ 246.110068 156.3
[M-H]- 222.113574 152.6
[M+NH4]+ 241.154673 168.0
[M+K]+ 262.084008 154.2
[M+H-H2O]+ 206.118110 144.0
[M+HCOO]- 268.119051 173.6
[M+CH3COO]- 282.134701 189.2
[M+Na-2H]- 244.095516 155.1
[M]+ 223.12030142 152.2
[M]- 223.12139858 152.2
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