CID 56639

93475-91-3

Structural Information

Molecular Formula
C12H16INO3
SMILES
CN(C)CCOC(=O)COC1=CC=C(C=C1)I
InChI
InChI=1S/C12H16INO3/c1-14(2)7-8-16-12(15)9-17-11-5-3-10(13)4-6-11/h3-6H,7-9H2,1-2H3
InChIKey
UHGVZVOQBAWDKC-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2-(4-iodophenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.0175 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.024776 168.9
[M+Na]+ 372.006718 167.7
[M-H]- 348.010224 166.3
[M+NH4]+ 367.051323 181.7
[M+K]+ 387.980658 173.3
[M+H-H2O]+ 332.014760 157.9
[M+HCOO]- 394.015701 188.1
[M+CH3COO]- 408.031351 205.6
[M+Na-2H]- 369.992166 159.9
[M]+ 349.01695142 170.7
[M]- 349.01804858 170.7
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

No patent data available for this compound.