CID 64145961

2-{[(tert-butoxy)carbonyl]amino}-2-methyl-4-phenylbutanoic acid

Structural Information

Molecular Formula
C16H23NO4
SMILES
CC(C)(C)OC(=O)NC(C)(CCC1=CC=CC=C1)C(=O)O
InChI
InChI=1S/C16H23NO4/c1-15(2,3)21-14(20)17-16(4,13(18)19)11-10-12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,17,20)(H,18,19)
InChIKey
NRJFKHRPRBWHEN-UHFFFAOYSA-N
Compound name
2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

293.16272 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.17000 169.8
[M+Na]+ 316.15194 173.8
[M-H]- 292.15544 171.5
[M+NH4]+ 311.19654 184.1
[M+K]+ 332.12588 172.4
[M+H-H2O]+ 276.15998 163.7
[M+HCOO]- 338.16092 187.8
[M+CH3COO]- 352.17657 201.7
[M+Na-2H]- 314.13739 173.8
[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

patents stripe