CID 16856

2-(4-butoxy-m-tolyl)acetohydroxamic acid

Structural Information

Molecular Formula
C13H19NO3
SMILES
CCCCOC1=C(C=C(C=C1)CC(=O)NO)C
InChI
InChI=1S/C13H19NO3/c1-3-4-7-17-12-6-5-11(8-10(12)2)9-13(15)14-16/h5-6,8,16H,3-4,7,9H2,1-2H3,(H,14,15)
InChIKey
APYAPSPMAOAUDX-UHFFFAOYSA-N
Compound name
2-(4-butoxy-3-methylphenyl)-N-hydroxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

237.13649 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.14377 154.9
[M+Na]+ 260.12571 161.1
[M-H]- 236.12921 157.1
[M+NH4]+ 255.17031 172.0
[M+K]+ 276.09965 158.8
[M+H-H2O]+ 220.13375 148.4
[M+HCOO]- 282.13469 177.5
[M+CH3COO]- 296.15034 193.5
[M+Na-2H]- 258.11116 158.1
[M]+ 237.13594 157.3
[M]- 237.13704 157.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe