CID 41412

Dl-3-(p-chlorophenyl)-n-((2-methylpropoxy)carbonyl)alanine sodium salt

Structural Information

Molecular Formula
C14H18ClNO4
SMILES
CC(C)COC(=O)NC(CC1=CC=C(C=C1)Cl)C(=O)O
InChI
InChI=1S/C14H18ClNO4/c1-9(2)8-20-14(19)16-12(13(17)18)7-10-3-5-11(15)6-4-10/h3-6,9,12H,7-8H2,1-2H3,(H,16,19)(H,17,18)
InChIKey
DUOSCNNXUQBMIG-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-2-(2-methylpropoxycarbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.09244 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.09972 166.9
[M+Na]+ 322.08166 176.0
[M+NH4]+ 317.12626 172.3
[M+K]+ 338.05560 172.0
[M-H]- 298.08516 166.4
[M+Na-2H]- 320.06711 169.8
[M]+ 299.09189 167.9
[M]- 299.09299 167.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.