CID 21446637

N-caproyl tyramine

Structural Information

Molecular Formula
C14H21NO2
SMILES
CCCCCC(=O)NCCC1=CC=C(C=C1)O
InChI
InChI=1S/C14H21NO2/c1-2-3-4-5-14(17)15-11-10-12-6-8-13(16)9-7-12/h6-9,16H,2-5,10-11H2,1H3,(H,15,17)
InChIKey
OOAYUBIIDJANMN-UHFFFAOYSA-N
Compound name
N-[2-(4-hydroxyphenyl)ethyl]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

235.15723 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.16451 157.1
[M+Na]+ 258.14645 167.4
[M+NH4]+ 253.19105 164.1
[M+K]+ 274.12039 160.7
[M-H]- 234.14995 158.6
[M+Na-2H]- 256.13190 162.0
[M]+ 235.15668 158.7
[M]- 235.15778 158.7
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