CID 31660

23142-41-8

Structural Information

Molecular Formula
C13H18ClNO3
SMILES
CCCCCOC1=C(C=C(C=C1)CC(=O)NO)Cl
InChI
InChI=1S/C13H18ClNO3/c1-2-3-4-7-18-12-6-5-10(8-11(12)14)9-13(16)15-17/h5-6,8,17H,2-4,7,9H2,1H3,(H,15,16)
InChIKey
KKEAXAUOTXQKNV-UHFFFAOYSA-N
Compound name
2-(3-chloro-4-pentoxyphenyl)-N-hydroxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.09753 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.104806 160.6
[M+Na]+ 294.086748 167.6
[M-H]- 270.090254 162.7
[M+NH4]+ 289.131353 177.2
[M+K]+ 310.060688 163.3
[M+H-H2O]+ 254.094790 155.1
[M+HCOO]- 316.095731 178.8
[M+CH3COO]- 330.111381 197.2
[M+Na-2H]- 292.072196 163.4
[M]+ 271.09698142 165.1
[M]- 271.09807858 165.1
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.