CID 6449726

N-cinnamyl-d,l-leucinol

Structural Information

Molecular Formula
C15H21NO2
SMILES
CC(C)CC(CO)NC(=O)/C=C/C1=CC=CC=C1
InChI
InChI=1S/C15H21NO2/c1-12(2)10-14(11-17)16-15(18)9-8-13-6-4-3-5-7-13/h3-9,12,14,17H,10-11H2,1-2H3,(H,16,18)/b9-8+
InChIKey
DZDOBDWXGLZYPW-CMDGGOBGSA-N
Compound name
(E)-N-(1-hydroxy-4-methylpentan-2-yl)-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.15723 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.16451 161.8
[M+Na]+ 270.14645 165.2
[M-H]- 246.14995 163.0
[M+NH4]+ 265.19105 177.7
[M+K]+ 286.12039 162.2
[M+H-H2O]+ 230.15449 155.0
[M+HCOO]- 292.15543 181.7
[M+CH3COO]- 306.17108 195.3
[M+Na-2H]- 268.13190 162.7
[M]+ 247.15668 160.6
[M]- 247.15778 160.6
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.