CID 2018

Actarit

Structural Information

Molecular Formula
C10H11NO3
SMILES
CC(=O)NC1=CC=C(C=C1)CC(=O)O
InChI
InChI=1S/C10H11NO3/c1-7(12)11-9-4-2-8(3-5-9)6-10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)
InChIKey
MROJXXOCABQVEF-UHFFFAOYSA-N
Compound name
2-(4-acetamidophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

47
References

8108
Patents

193.0739 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08118 141.5
[M+Na]+ 216.06312 151.8
[M+NH4]+ 211.10772 148.1
[M+K]+ 232.03706 147.4
[M-H]- 192.06662 142.1
[M+Na-2H]- 214.04857 146.5
[M]+ 193.07335 142.8
[M]- 193.07445 142.8
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

patents stripe