CID 44978

63884-94-6

Structural Information

Molecular Formula
C14H21NO3
SMILES
CCCCOC1=C(C=C(C=C1)CC(=O)NO)CC
InChI
InChI=1S/C14H21NO3/c1-3-5-8-18-13-7-6-11(9-12(13)4-2)10-14(16)15-17/h6-7,9,17H,3-5,8,10H2,1-2H3,(H,15,16)
InChIKey
LDMNWDMAZKMCSI-UHFFFAOYSA-N
Compound name
2-(4-butoxy-3-ethylphenyl)-N-hydroxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

251.15215 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.159426 159.5
[M+Na]+ 274.141368 165.2
[M-H]- 250.144874 161.5
[M+NH4]+ 269.185973 176.0
[M+K]+ 290.115308 162.7
[M+H-H2O]+ 234.149410 152.8
[M+HCOO]- 296.150351 181.8
[M+CH3COO]- 310.166001 196.5
[M+Na-2H]- 272.126816 162.2
[M]+ 251.15160142 162.2
[M]- 251.15269858 162.2
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