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

44
Patents

240.00111 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.008386 134.7
[M+Na]+ 262.990328 134.5
[M-H]- 238.993834 131.8
[M+NH4]+ 258.034933 152.4
[M+K]+ 278.964268 141.0
[M+H-H2O]+ 222.998370 126.8
[M+HCOO]- 284.999311 149.7
[M+CH3COO]- 299.014961 181.0
[M+Na-2H]- 260.975776 129.9
[M]+ 240.00056142 130.0
[M]- 240.00165858 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

patents stripe