CID 23278896

21639-05-4

Structural Information

Molecular Formula
C9H9NO4
SMILES
C1=CC=C(C=C1)OC(=O)NCC(=O)O
InChI
InChI=1S/C9H9NO4/c11-8(12)6-10-9(13)14-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)
InChIKey
UNVFPUDDHWTMHX-UHFFFAOYSA-N
Compound name
2-(phenoxycarbonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

195.05316 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.060436 139.2
[M+Na]+ 218.042378 145.3
[M-H]- 194.045884 141.5
[M+NH4]+ 213.086983 157.2
[M+K]+ 234.016318 144.3
[M+H-H2O]+ 178.050420 132.9
[M+HCOO]- 240.051361 162.7
[M+CH3COO]- 254.067011 180.5
[M+Na-2H]- 216.027826 144.8
[M]+ 195.05261142 139.4
[M]- 195.05370858 139.4
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