CID 10731350

86778-91-8

Structural Information

Molecular Formula
C15H21NO4
SMILES
CC(C)(C)OC(=O)NC(C)(CC1=CC=CC=C1)C(=O)O
InChI
InChI=1S/C15H21NO4/c1-14(2,3)20-13(19)16-15(4,12(17)18)10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H,16,19)(H,17,18)
InChIKey
FAXPKABRZLISKX-UHFFFAOYSA-N
Compound name
2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

279.14706 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.15434 165.3
[M+Na]+ 302.13628 173.1
[M+NH4]+ 297.18088 170.1
[M+K]+ 318.11022 170.5
[M-H]- 278.13978 164.0
[M+Na-2H]- 300.12173 168.8
[M]+ 279.14651 165.7
[M]- 279.14761 165.7
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