CID 21998724

Methyl 3-acetamido-4-(methylamino)benzoate

Structural Information

Molecular Formula
C11H14N2O3
SMILES
CC(=O)NC1=C(C=CC(=C1)C(=O)OC)NC
InChI
InChI=1S/C11H14N2O3/c1-7(14)13-10-6-8(11(15)16-3)4-5-9(10)12-2/h4-6,12H,1-3H3,(H,13,14)
InChIKey
FFAXNGMXKZLZPR-UHFFFAOYSA-N
Compound name
methyl 3-acetamido-4-(methylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

222.10045 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.10773 148.6
[M+Na]+ 245.08967 155.2
[M-H]- 221.09317 152.6
[M+NH4]+ 240.13427 166.5
[M+K]+ 261.06361 154.3
[M+H-H2O]+ 205.09771 141.9
[M+HCOO]- 267.09865 173.6
[M+CH3COO]- 281.11430 194.5
[M+Na-2H]- 243.07512 152.4
[M]+ 222.09990 149.9
[M]- 222.10100 149.9
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

patents stripe