CID 10856336

Methyl 3-acetyl-4-aminobenzoate

Structural Information

Molecular Formula
C10H11NO3
SMILES
CC(=O)C1=C(C=CC(=C1)C(=O)OC)N
InChI
InChI=1S/C10H11NO3/c1-6(12)8-5-7(10(13)14-2)3-4-9(8)11/h3-5H,11H2,1-2H3
InChIKey
UWOWQJXAUBYDTF-UHFFFAOYSA-N
Compound name
methyl 3-acetyl-4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

193.0739 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.081176 139.7
[M+Na]+ 216.063118 147.8
[M-H]- 192.066624 143.5
[M+NH4]+ 211.107723 158.9
[M+K]+ 232.037058 146.6
[M+H-H2O]+ 176.071160 133.9
[M+HCOO]- 238.072101 163.5
[M+CH3COO]- 252.087751 186.3
[M+Na-2H]- 214.048566 142.8
[M]+ 193.07335142 140.6
[M]- 193.07444858 140.6
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