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]+ 241.00839 131.9
[M+Na]+ 262.99033 128.3
[M-H]- 238.99383 129.5
[M+NH4]+ 258.03493 146.0
[M+K]+ 278.96427 137.9
[M+H-H2O]+ 222.99837 123.9
[M+HCOO]- 284.99931 146.3
[M+CH3COO]- 299.01496 182.4
[M+Na-2H]- 260.97578 126.9
[M]+ 240.00056 123.8
[M]- 240.00166 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.