CID 77614663

2-((tert-butoxycarbonyl)amino)-3-phenylpentanoic acid

Structural Information

Molecular Formula
C16H23NO4
SMILES
CCC(C1=CC=CC=C1)C(C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C16H23NO4/c1-5-12(11-9-7-6-8-10-11)13(14(18)19)17-15(20)21-16(2,3)4/h6-10,12-13H,5H2,1-4H3,(H,17,20)(H,18,19)
InChIKey
REQBOOZNZSGIRR-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.16272 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.169996 170.6
[M+Na]+ 316.151938 173.6
[M-H]- 292.155444 172.1
[M+NH4]+ 311.196543 184.6
[M+K]+ 332.125878 172.8
[M+H-H2O]+ 276.159980 164.1
[M+HCOO]- 338.160921 188.1
[M+CH3COO]- 352.176571 203.1
[M+Na-2H]- 314.137386 171.0
[M]+ 293.16217142 171.5
[M]- 293.16326858 171.5
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.