CID 6449723

N-cinnamoyl-d,l-norleucine methyl ester

Structural Information

Molecular Formula
C16H21NO3
SMILES
CCCC[C@@H](C(=O)OC)NC(=O)/C=C/C1=CC=CC=C1
InChI
InChI=1S/C16H21NO3/c1-3-4-10-14(16(19)20-2)17-15(18)12-11-13-8-6-5-7-9-13/h5-9,11-12,14H,3-4,10H2,1-2H3,(H,17,18)/b12-11+/t14-/m0/s1
InChIKey
WQISKJZRURINCI-GETOMWPZSA-N
Compound name
methyl (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.15213 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.15941 167.8
[M+Na]+ 298.14135 171.4
[M-H]- 274.14485 170.3
[M+NH4]+ 293.18595 183.2
[M+K]+ 314.11529 169.0
[M+H-H2O]+ 258.14939 160.3
[M+HCOO]- 320.15033 189.3
[M+CH3COO]- 334.16598 201.3
[M+Na-2H]- 296.12680 168.7
[M]+ 275.15158 169.5
[M]- 275.15268 169.5
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.