CID 4091384

(formyl-2,3-dimethylanilino)acetic acid

Structural Information

Molecular Formula
C11H13NO3
SMILES
CC1=C(C(=CC=C1)N(CC(=O)O)C=O)C
InChI
InChI=1S/C11H13NO3/c1-8-4-3-5-10(9(8)2)12(7-13)6-11(14)15/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKey
VJNFGUWSQPMMIW-UHFFFAOYSA-N
Compound name
2-(N-formyl-2,3-dimethylanilino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.08954 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09682 143.5
[M+Na]+ 230.07876 151.0
[M-H]- 206.08226 147.6
[M+NH4]+ 225.12336 162.3
[M+K]+ 246.05270 149.9
[M+H-H2O]+ 190.08680 137.3
[M+HCOO]- 252.08774 167.5
[M+CH3COO]- 266.10339 190.7
[M+Na-2H]- 228.06421 147.1
[M]+ 207.08899 145.8
[M]- 207.09009 145.8
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.