CID 77720

4093-29-2

Structural Information

Molecular Formula
C11H13NO4
SMILES
CC(=O)NC1=CC(=C(C=C1)C(=O)OC)OC
InChI
InChI=1S/C11H13NO4/c1-7(13)12-8-4-5-9(11(14)16-3)10(6-8)15-2/h4-6H,1-3H3,(H,12,13)
InChIKey
OERVVBDWGVOBIS-UHFFFAOYSA-N
Compound name
methyl 4-acetamido-2-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

127
Patents

223.08446 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.09174 146.8
[M+Na]+ 246.07368 154.3
[M-H]- 222.07718 150.9
[M+NH4]+ 241.11828 165.0
[M+K]+ 262.04762 153.9
[M+H-H2O]+ 206.08172 140.4
[M+HCOO]- 268.08266 171.0
[M+CH3COO]- 282.09831 191.5
[M+Na-2H]- 244.05913 150.4
[M]+ 223.08391 150.4
[M]- 223.08501 150.4
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