CID 2763025

2-(iodomethyl)oxepane

Structural Information

Molecular Formula
C7H13IO
SMILES
C1CCC(OCC1)CI
InChI
InChI=1S/C7H13IO/c8-6-7-4-2-1-3-5-9-7/h7H,1-6H2
InChIKey
GGGYXZYJTQDNEZ-UHFFFAOYSA-N
Compound name
2-(iodomethyl)oxepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.00111 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.008386 131.9
[M+Na]+ 262.990328 128.3
[M-H]- 238.993834 129.5
[M+NH4]+ 258.034933 146.0
[M+K]+ 278.964268 137.9
[M+H-H2O]+ 222.998370 123.9
[M+HCOO]- 284.999311 146.3
[M+CH3COO]- 299.014961 182.4
[M+Na-2H]- 260.975776 126.9
[M]+ 240.00056142 123.8
[M]- 240.00165858 123.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.