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]+ 236.091736 147.5
[M+Na]+ 258.073678 155.1
[M-H]- 234.077184 153.8
[M+NH4]+ 253.118283 159.4
[M+K]+ 274.047618 152.0
[M+H-H2O]+ 218.081720 140.8
[M+HCOO]- 280.082661 170.4
[M+CH3COO]- 294.098311 192.9
[M+Na-2H]- 256.059126 151.7
[M]+ 235.08391142 150.7
[M]- 235.08500858 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.