CID 13678037

390401-40-8

Structural Information

Molecular Formula
C14H19NO4
SMILES
CC(C)(C)OC(=O)NC(C)(C1=CC=CC=C1)C(=O)O
InChI
InChI=1S/C14H19NO4/c1-13(2,3)19-12(18)15-14(4,11(16)17)10-8-6-5-7-9-10/h5-9H,1-4H3,(H,15,18)(H,16,17)
InChIKey
WOGUASPHMADVMU-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

265.1314 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.13868 160.6
[M+Na]+ 288.12062 165.4
[M-H]- 264.12412 162.6
[M+NH4]+ 283.16522 176.0
[M+K]+ 304.09456 164.4
[M+H-H2O]+ 248.12866 154.9
[M+HCOO]- 310.12960 179.2
[M+CH3COO]- 324.14525 195.7
[M+Na-2H]- 286.10607 165.5
[M]+ 265.13085 161.5
[M]- 265.13195 161.5
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