CID 223909

Ethyl 4-formamidobenzoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

193.0739 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.081176 139.5
[M+Na]+ 216.063118 146.8
[M-H]- 192.066624 143.3
[M+NH4]+ 211.107723 158.7
[M+K]+ 232.037058 145.5
[M+H-H2O]+ 176.071160 133.2
[M+HCOO]- 238.072101 164.9
[M+CH3COO]- 252.087751 184.8
[M+Na-2H]- 214.048566 145.6
[M]+ 193.07335142 141.6
[M]- 193.07444858 141.6
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