CID 131751428

4-coumaroylputrescine

Structural Information

Molecular Formula
C13H18N2O2
SMILES
C1=CC(=CC=C1/C=C\C(=O)NCCCCN)O
InChI
InChI=1S/C13H18N2O2/c14-9-1-2-10-15-13(17)8-5-11-3-6-12(16)7-4-11/h3-8,16H,1-2,9-10,14H2,(H,15,17)/b8-5-
InChIKey
CJHDBEPXEKGBDW-YVMONPNESA-N
Compound name
(Z)-N-(4-aminobutyl)-3-(4-hydroxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

234.13683 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.144106 155.3
[M+Na]+ 257.126048 160.1
[M-H]- 233.129554 156.5
[M+NH4]+ 252.170653 171.5
[M+K]+ 273.099988 156.2
[M+H-H2O]+ 217.134090 148.3
[M+HCOO]- 279.135031 178.3
[M+CH3COO]- 293.150681 193.2
[M+Na-2H]- 255.111496 158.4
[M]+ 234.13628142 153.2
[M]- 234.13737858 153.2
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

No patent data available for this compound.