CID 230358

5-acetylamino-2-methyl-benzoic acid methyl ester

Structural Information

Molecular Formula
C11H13NO3
SMILES
CC1=C(C=C(C=C1)NC(=O)C)C(=O)OC
InChI
InChI=1S/C11H13NO3/c1-7-4-5-9(12-8(2)13)6-10(7)11(14)15-3/h4-6H,1-3H3,(H,12,13)
InChIKey
RFSDXBQPVJXKRJ-UHFFFAOYSA-N
Compound name
methyl 5-acetamido-2-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

207.08954 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.096816 143.9
[M+Na]+ 230.078758 151.6
[M-H]- 206.082264 148.1
[M+NH4]+ 225.123363 162.9
[M+K]+ 246.052698 150.6
[M+H-H2O]+ 190.086800 137.9
[M+HCOO]- 252.087741 168.0
[M+CH3COO]- 266.103391 189.3
[M+Na-2H]- 228.064206 147.6
[M]+ 207.08899142 146.1
[M]- 207.09008858 146.1
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