CID 86235482

882687-80-1

Structural Information

Molecular Formula
C7H13IO
SMILES
CC1(CC(CCO1)I)C
InChI
InChI=1S/C7H13IO/c1-7(2)5-6(8)3-4-9-7/h6H,3-5H2,1-2H3
InChIKey
CTPMPYIKWARWDI-UHFFFAOYSA-N
Compound name
4-iodo-2,2-dimethyloxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

240.00111 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.00839 134.7
[M+Na]+ 262.99033 134.5
[M-H]- 238.99383 131.8
[M+NH4]+ 258.03493 152.4
[M+K]+ 278.96427 141.0
[M+H-H2O]+ 222.99837 126.8
[M+HCOO]- 284.99931 149.7
[M+CH3COO]- 299.01496 181.0
[M+Na-2H]- 260.97578 129.9
[M]+ 240.00056 130.0
[M]- 240.00166 130.0
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.