CID 68826360

75162-02-6

Structural Information

Molecular Formula
C15H19NO5
SMILES
CC(C)(C)OC(=O)NC(CC(=O)C1=CC=CC=C1)C(=O)O
InChI
InChI=1S/C15H19NO5/c1-15(2,3)21-14(20)16-11(13(18)19)9-12(17)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,16,20)(H,18,19)
InChIKey
UYBVBOASUUTFDS-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

293.1263 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.133576 167.1
[M+Na]+ 316.115518 170.7
[M-H]- 292.119024 168.8
[M+NH4]+ 311.160123 181.0
[M+K]+ 332.089458 170.2
[M+H-H2O]+ 276.123560 160.6
[M+HCOO]- 338.124501 185.4
[M+CH3COO]- 352.140151 201.4
[M+Na-2H]- 314.100966 168.3
[M]+ 293.12575142 168.4
[M]- 293.12684858 168.4
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