CID 16856

2338-01-4

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

17
Patents

237.13649 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.143766 154.9
[M+Na]+ 260.125708 161.1
[M-H]- 236.129214 157.1
[M+NH4]+ 255.170313 172.0
[M+K]+ 276.099648 158.8
[M+H-H2O]+ 220.133750 148.4
[M+HCOO]- 282.134691 177.5
[M+CH3COO]- 296.150341 193.5
[M+Na-2H]- 258.111156 158.1
[M]+ 237.13594142 157.3
[M]- 237.13703858 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