CID 27382

15560-61-9

Structural Information

Molecular Formula
C13H19NO4
SMILES
CCCCOC1=C(C=C(C=C1)CC(=O)NO)OC
InChI
InChI=1S/C13H19NO4/c1-3-4-7-18-11-6-5-10(8-12(11)17-2)9-13(15)14-16/h5-6,8,16H,3-4,7,9H2,1-2H3,(H,14,15)
InChIKey
QRJCDIVJPRWSMH-UHFFFAOYSA-N
Compound name
2-(4-butoxy-3-methoxyphenyl)-N-hydroxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.13141 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.138686 157.6
[M+Na]+ 276.120628 163.6
[M-H]- 252.124134 159.7
[M+NH4]+ 271.165233 173.9
[M+K]+ 292.094568 161.9
[M+H-H2O]+ 236.128670 150.7
[M+HCOO]- 298.129611 180.4
[M+CH3COO]- 312.145261 195.6
[M+Na-2H]- 274.106076 160.8
[M]+ 253.13086142 161.4
[M]- 253.13195858 161.4
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

No patent data available for this compound.