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]+ 272.10481 160.6
[M+Na]+ 294.08675 167.6
[M-H]- 270.09025 162.7
[M+NH4]+ 289.13135 177.2
[M+K]+ 310.06069 163.3
[M+H-H2O]+ 254.09479 155.1
[M+HCOO]- 316.09573 178.8
[M+CH3COO]- 330.11138 197.2
[M+Na-2H]- 292.07220 163.4
[M]+ 271.09698 165.1
[M]- 271.09808 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.