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]+ 241.00839 137.7
[M+Na]+ 262.99033 135.6
[M-H]- 238.99383 133.9
[M+NH4]+ 258.03493 153.0
[M+K]+ 278.96427 141.8
[M+H-H2O]+ 222.99837 128.6
[M+HCOO]- 284.99931 152.6
[M+CH3COO]- 299.01496 180.3
[M+Na-2H]- 260.97578 132.2
[M]+ 240.00056 132.2
[M]- 240.00166 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