CID 59563723

960363-66-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

279.14706 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.15434 165.2
[M+Na]+ 302.13628 169.6
[M-H]- 278.13978 167.1
[M+NH4]+ 297.18088 180.1
[M+K]+ 318.11022 168.4
[M+H-H2O]+ 262.14432 159.3
[M+HCOO]- 324.14526 183.5
[M+CH3COO]- 338.16091 198.7
[M+Na-2H]- 300.12173 169.7
[M]+ 279.14651 166.5
[M]- 279.14761 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