CID 71648954

4677-16-1

Structural Information

Molecular Formula
C7H13IO
SMILES
C1COCCC1CCI
InChI
InChI=1S/C7H13IO/c8-4-1-7-2-5-9-6-3-7/h7H,1-6H2
InChIKey
DMFPKHPJSREPBI-UHFFFAOYSA-N
Compound name
4-(2-iodoethyl)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

240.00111 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.008386 137.7
[M+Na]+ 262.990328 135.6
[M-H]- 238.993834 133.9
[M+NH4]+ 258.034933 153.0
[M+K]+ 278.964268 141.8
[M+H-H2O]+ 222.998370 128.6
[M+HCOO]- 284.999311 152.6
[M+CH3COO]- 299.014961 180.3
[M+Na-2H]- 260.975776 132.2
[M]+ 240.00056142 132.2
[M]- 240.00165858 132.2
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