CID 137698924

2138151-85-4

Structural Information

Molecular Formula
C14H18ClNO4
SMILES
CC(C)(C)OC(=O)NCC(C1=CC=CC=C1Cl)C(=O)O
InChI
InChI=1S/C14H18ClNO4/c1-14(2,3)20-13(19)16-8-10(12(17)18)9-6-4-5-7-11(9)15/h4-7,10H,8H2,1-3H3,(H,16,19)(H,17,18)
InChIKey
ROJRSGGMPTYNBZ-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.09244 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.09972 167.0
[M+Na]+ 322.08166 176.1
[M+NH4]+ 317.12626 172.3
[M+K]+ 338.05560 172.6
[M-H]- 298.08516 166.1
[M+Na-2H]- 320.06711 170.2
[M]+ 299.09189 168.0
[M]- 299.09299 168.0
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.