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]+ 294.17000 170.6
[M+Na]+ 316.15194 173.6
[M-H]- 292.15544 172.1
[M+NH4]+ 311.19654 184.6
[M+K]+ 332.12588 172.8
[M+H-H2O]+ 276.15998 164.1
[M+HCOO]- 338.16092 188.1
[M+CH3COO]- 352.17657 203.1
[M+Na-2H]- 314.13739 171.0
[M]+ 293.16217 171.5
[M]- 293.16327 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.