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

15
Patents

251.15215 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.15943 159.5
[M+Na]+ 274.14137 165.2
[M-H]- 250.14487 161.5
[M+NH4]+ 269.18597 176.0
[M+K]+ 290.11531 162.7
[M+H-H2O]+ 234.14941 152.8
[M+HCOO]- 296.15035 181.8
[M+CH3COO]- 310.16600 196.5
[M+Na-2H]- 272.12682 162.2
[M]+ 251.15160 162.2
[M]- 251.15270 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