CID 202103

4-pentenamide, 2-allyl-2-(p-hydroxyphenyl)-

Structural Information

Molecular Formula
C14H17NO2
SMILES
C=CCC(CC=C)(C1=CC=C(C=C1)O)C(=O)N
InChI
InChI=1S/C14H17NO2/c1-3-9-14(10-4-2,13(15)17)11-5-7-12(16)8-6-11/h3-8,16H,1-2,9-10H2,(H2,15,17)
InChIKey
SIMSKKFIJDZJAZ-UHFFFAOYSA-N
Compound name
2-(4-hydroxyphenyl)-2-prop-2-enylpent-4-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.12593 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.13321 154.3
[M+Na]+ 254.11515 160.2
[M-H]- 230.11865 155.7
[M+NH4]+ 249.15975 170.9
[M+K]+ 270.08909 155.9
[M+H-H2O]+ 214.12319 148.5
[M+HCOO]- 276.12413 174.5
[M+CH3COO]- 290.13978 191.8
[M+Na-2H]- 252.10060 157.4
[M]+ 231.12538 152.4
[M]- 231.12648 152.4
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.