CID 46318383

188751-52-2

Structural Information

Molecular Formula
C13H17NO5
SMILES
CC(C)(C)OC(=O)NC1=CC=C(C=C1)OCC(=O)O
InChI
InChI=1S/C13H17NO5/c1-13(2,3)19-12(17)14-9-4-6-10(7-5-9)18-8-11(15)16/h4-7H,8H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
XCVRNGMGBYUWNT-UHFFFAOYSA-N
Compound name
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

267.1107 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.11798 159.8
[M+Na]+ 290.09992 168.2
[M+NH4]+ 285.14452 164.6
[M+K]+ 306.07386 165.6
[M-H]- 266.10342 158.7
[M+Na-2H]- 288.08537 163.1
[M]+ 267.11015 160.3
[M]- 267.11125 160.3
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