CID 590691

2-(4-acetylanilino)acetic acid

Structural Information

Molecular Formula
C10H11NO3
SMILES
CC(=O)C1=CC=C(C=C1)NCC(=O)O
InChI
InChI=1S/C10H11NO3/c1-7(12)8-2-4-9(5-3-8)11-6-10(13)14/h2-5,11H,6H2,1H3,(H,13,14)
InChIKey
AEXFITBEFOTRCS-UHFFFAOYSA-N
Compound name
2-(4-acetylanilino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

193.0739 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08118 141.3
[M+Na]+ 216.06312 151.6
[M+NH4]+ 211.10772 148.0
[M+K]+ 232.03706 147.2
[M-H]- 192.06662 142.0
[M+Na-2H]- 214.04857 146.3
[M]+ 193.07335 142.6
[M]- 193.07445 142.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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