CID 14987869

2903-48-2

Structural Information

Molecular Formula
C10H11NO3
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C(=O)O
InChI
InChI=1S/C10H11NO3/c1-6-4-3-5-7(2)8(6)11-9(12)10(13)14/h3-5H,1-2H3,(H,11,12)(H,13,14)
InChIKey
JFTAPSBIODPQJN-UHFFFAOYSA-N
Compound name
2-(2,6-dimethylanilino)-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

356
Patents

193.0739 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08118 140.0
[M+Na]+ 216.06312 147.7
[M-H]- 192.06662 143.0
[M+NH4]+ 211.10772 158.8
[M+K]+ 232.03706 146.0
[M+H-H2O]+ 176.07116 134.4
[M+HCOO]- 238.07210 162.9
[M+CH3COO]- 252.08775 183.8
[M+Na-2H]- 214.04857 143.6
[M]+ 193.07335 139.9
[M]- 193.07445 139.9
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