CID 18669258

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

280.1423 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.149576 165.7
[M+Na]+ 303.131518 169.8
[M-H]- 279.135024 167.2
[M+NH4]+ 298.176123 180.0
[M+K]+ 319.105458 168.7
[M+H-H2O]+ 263.139560 159.1
[M+HCOO]- 325.140501 185.2
[M+CH3COO]- 339.156151 202.2
[M+Na-2H]- 301.116966 166.9
[M]+ 280.14175142 165.0
[M]- 280.14284858 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

No literature data available for this compound.

Patent stripe

patents stripe