CID 352160

Ethyl 4-dimethylaminobenzoylformate

Structural Information

Molecular Formula
C12H15NO3
SMILES
CCOC(=O)C(=O)C1=CC=C(C=C1)N(C)C
InChI
InChI=1S/C12H15NO3/c1-4-16-12(15)11(14)9-5-7-10(8-6-9)13(2)3/h5-8H,4H2,1-3H3
InChIKey
IEQWYUJSPBZCTP-UHFFFAOYSA-N
Compound name
ethyl 2-[4-(dimethylamino)phenyl]-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

221.1052 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.11248 148.6
[M+Na]+ 244.09442 154.9
[M-H]- 220.09792 153.6
[M+NH4]+ 239.13902 167.2
[M+K]+ 260.06836 155.1
[M+H-H2O]+ 204.10246 141.9
[M+HCOO]- 266.10340 172.8
[M+CH3COO]- 280.11905 195.3
[M+Na-2H]- 242.07987 151.6
[M]+ 221.10465 152.1
[M]- 221.10575 152.1
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