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]+ 350.02478 168.9
[M+Na]+ 372.00672 167.7
[M-H]- 348.01022 166.3
[M+NH4]+ 367.05132 181.7
[M+K]+ 387.98066 173.3
[M+H-H2O]+ 332.01476 157.9
[M+HCOO]- 394.01570 188.1
[M+CH3COO]- 408.03135 205.6
[M+Na-2H]- 369.99217 159.9
[M]+ 349.01695 170.7
[M]- 349.01805 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.