CID 889955

Tmppaa

Structural Information

Molecular Formula
C15H21NO2
SMILES
CCC(CC)NC(=O)/C=C/C1=CC=C(C=C1)OC
InChI
InChI=1S/C15H21NO2/c1-4-13(5-2)16-15(17)11-8-12-6-9-14(18-3)10-7-12/h6-11,13H,4-5H2,1-3H3,(H,16,17)/b11-8+
InChIKey
SPXCFGAFVLQEJK-DHZHZOJOSA-N
Compound name
(E)-3-(4-methoxyphenyl)-N-pentan-3-ylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

247.15723 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.164506 160.4
[M+Na]+ 270.146448 165.5
[M-H]- 246.149954 163.4
[M+NH4]+ 265.191053 177.5
[M+K]+ 286.120388 162.9
[M+H-H2O]+ 230.154490 153.5
[M+HCOO]- 292.155431 182.9
[M+CH3COO]- 306.171081 198.1
[M+Na-2H]- 268.131896 162.5
[M]+ 247.15668142 162.2
[M]- 247.15777858 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

literature stripe

Patent stripe

patents stripe