CID 5084504

(acetyl-2,3-dimethylanilino)acetic acid

Structural Information

Molecular Formula
C12H15NO3
SMILES
CC1=C(C(=CC=C1)N(CC(=O)O)C(=O)C)C
InChI
InChI=1S/C12H15NO3/c1-8-5-4-6-11(9(8)2)13(10(3)14)7-12(15)16/h4-6H,7H2,1-3H3,(H,15,16)
InChIKey
CAHOIRAADCLTEU-UHFFFAOYSA-N
Compound name
2-(N-acetyl-2,3-dimethylanilino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

221.1052 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.11248 149.5
[M+Na]+ 244.09442 159.9
[M+NH4]+ 239.13902 156.0
[M+K]+ 260.06836 155.8
[M-H]- 220.09792 150.4
[M+Na-2H]- 242.07987 154.0
[M]+ 221.10465 150.9
[M]- 221.10575 150.9
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.