CID 10588743

172834-25-2

Structural Information

Molecular Formula
C15H21NO4
SMILES
CC(C)(C)OC(=O)N(CCC1=CC=CC=C1)CC(=O)O
InChI
InChI=1S/C15H21NO4/c1-15(2,3)20-14(19)16(11-13(17)18)10-9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,17,18)
InChIKey
ZRHNALVSXAVNMX-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylethyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

279.14706 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.154336 166.0
[M+Na]+ 302.136278 170.2
[M-H]- 278.139784 169.1
[M+NH4]+ 297.180883 181.5
[M+K]+ 318.110218 169.8
[M+H-H2O]+ 262.144320 159.3
[M+HCOO]- 324.145261 186.4
[M+CH3COO]- 338.160911 201.6
[M+Na-2H]- 300.121726 168.6
[M]+ 279.14651142 169.1
[M]- 279.14760858 169.1
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