CID 101755293

4-coumaroyl-2-hydroxyputrescine

Structural Information

Molecular Formula
C13H18N2O3
SMILES
C1=CC(=CC=C1/C=C/C(=O)NCC(CCN)O)O
InChI
InChI=1S/C13H18N2O3/c14-8-7-12(17)9-15-13(18)6-3-10-1-4-11(16)5-2-10/h1-6,12,16-17H,7-9,14H2,(H,15,18)/b6-3+
InChIKey
XBVRGBGSLROQIA-ZZXKWVIFSA-N
Compound name
(E)-N-(4-amino-2-hydroxybutyl)-3-(4-hydroxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

250.13174 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.139016 159.0
[M+Na]+ 273.120958 163.0
[M-H]- 249.124464 158.8
[M+NH4]+ 268.165563 173.7
[M+K]+ 289.094898 159.4
[M+H-H2O]+ 233.129000 152.1
[M+HCOO]- 295.129941 179.6
[M+CH3COO]- 309.145591 194.0
[M+Na-2H]- 271.106406 160.3
[M]+ 250.13119142 155.8
[M]- 250.13228858 155.8
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.