CID 16479247

890984-16-4

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 147.5
[M+Na]+ 258.07368 155.1
[M-H]- 234.07718 153.8
[M+NH4]+ 253.11828 159.4
[M+K]+ 274.04762 152.0
[M+H-H2O]+ 218.08172 140.8
[M+HCOO]- 280.08266 170.4
[M+CH3COO]- 294.09831 192.9
[M+Na-2H]- 256.05913 151.7
[M]+ 235.08391 150.7
[M]- 235.08501 150.7
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.