CID 5152353

630424-76-9

Structural Information

Molecular Formula
C15H21NO4
SMILES
CC(C1=CC=CC=C1)C(C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C15H21NO4/c1-10(11-8-6-5-7-9-11)12(13(17)18)16-14(19)20-15(2,3)4/h5-10,12H,1-4H3,(H,16,19)(H,17,18)
InChIKey
XFSLNPBJZAPTMM-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

279.14706 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.154336 165.9
[M+Na]+ 302.136278 169.4
[M-H]- 278.139784 167.6
[M+NH4]+ 297.180883 180.5
[M+K]+ 318.110218 168.8
[M+H-H2O]+ 262.144320 159.6
[M+HCOO]- 324.145261 183.8
[M+CH3COO]- 338.160911 200.1
[M+Na-2H]- 300.121726 166.8
[M]+ 279.14651142 166.5
[M]- 279.14760858 166.5
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