CID 165883100

En300-1071232

Structural Information

Molecular Formula
C14H19NO5
SMILES
CC(C)(C)OC(=O)NCC(C(=O)O)OC1=CC=CC=C1
InChI
InChI=1S/C14H19NO5/c1-14(2,3)20-13(18)15-9-11(12(16)17)19-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
NDEWVZJDFJCQIE-UHFFFAOYSA-N
Compound name
3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenoxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1263 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.13358 164.4
[M+Na]+ 304.11552 168.4
[M-H]- 280.11902 166.1
[M+NH4]+ 299.16012 178.9
[M+K]+ 320.08946 168.1
[M+H-H2O]+ 264.12356 157.8
[M+HCOO]- 326.12450 183.8
[M+CH3COO]- 340.14015 198.3
[M+Na-2H]- 302.10097 167.2
[M]+ 281.12575 166.6
[M]- 281.12685 166.6
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

No patent data available for this compound.