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]+ 235.14411 155.3
[M+Na]+ 257.12605 160.1
[M-H]- 233.12955 156.5
[M+NH4]+ 252.17065 171.5
[M+K]+ 273.09999 156.2
[M+H-H2O]+ 217.13409 148.3
[M+HCOO]- 279.13503 178.3
[M+CH3COO]- 293.15068 193.2
[M+Na-2H]- 255.11150 158.4
[M]+ 234.13628 153.2
[M]- 234.13738 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.