CID 88424671

Ethyl 3-iodo-2,2-dimethylpropanoate

Structural Information

Molecular Formula
C7H13IO2
SMILES
CCOC(=O)C(C)(C)CI
InChI
InChI=1S/C7H13IO2/c1-4-10-6(9)7(2,3)5-8/h4-5H2,1-3H3
InChIKey
GLTXTRRNPCBEGZ-UHFFFAOYSA-N
Compound name
ethyl 3-iodo-2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

255.99603 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.00331 144.6
[M+Na]+ 278.98525 144.8
[M-H]- 254.98875 138.4
[M+NH4]+ 274.02985 161.2
[M+K]+ 294.95919 150.8
[M+H-H2O]+ 238.99329 136.9
[M+HCOO]- 300.99423 161.0
[M+CH3COO]- 315.00988 185.4
[M+Na-2H]- 276.97070 137.6
[M]+ 255.99548 144.8
[M]- 255.99658 144.8
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

patents stripe