CID 2761482

(2s)-3-(4-aminophenyl)-2-{[(tert-butoxy)carbonyl]amino}propanoic acid

Structural Information

Molecular Formula
C14H20N2O4
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)N)C(=O)O
InChI
InChI=1S/C14H20N2O4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-4-6-10(15)7-5-9/h4-7,11H,8,15H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
InChIKey
NDMVQEZKACRLDP-NSHDSACASA-N
Compound name
(2S)-3-(4-aminophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

488
Patents

280.1423 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.14958 165.7
[M+Na]+ 303.13152 169.8
[M-H]- 279.13502 167.2
[M+NH4]+ 298.17612 180.0
[M+K]+ 319.10546 168.7
[M+H-H2O]+ 263.13956 159.1
[M+HCOO]- 325.14050 185.2
[M+CH3COO]- 339.15615 202.2
[M+Na-2H]- 301.11697 166.9
[M]+ 280.14175 165.0
[M]- 280.14285 165.0
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