CID 16479247

2-(3-cyclopropaneamidophenoxy)acetic acid

Structural Information

Molecular Formula
C12H13NO4
SMILES
C1CC1C(=O)NC2=CC(=CC=C2)OCC(=O)O
InChI
InChI=1S/C12H13NO4/c14-11(15)7-17-10-3-1-2-9(6-10)13-12(16)8-4-5-8/h1-3,6,8H,4-5,7H2,(H,13,16)(H,14,15)
InChIKey
FWXXKIDBHZJNTO-UHFFFAOYSA-N
Compound name
2-[3-(cyclopropanecarbonylamino)phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.08446 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09174 152.8
[M+Na]+ 258.07368 164.0
[M+NH4]+ 253.11828 159.7
[M+K]+ 274.04762 161.0
[M-H]- 234.07718 161.3
[M+Na-2H]- 256.05913 160.5
[M]+ 235.08391 157.5
[M]- 235.08501 157.5
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

No patent data available for this compound.