CID 130582932

2-cyclopropyl-6-(iodomethyl)oxane

Structural Information

Molecular Formula
C9H15IO
SMILES
C1CC(OC(C1)C2CC2)CI
InChI
InChI=1S/C9H15IO/c10-6-8-2-1-3-9(11-8)7-4-5-7/h7-9H,1-6H2
InChIKey
ZSVDYCQNWBTPAD-UHFFFAOYSA-N
Compound name
2-cyclopropyl-6-(iodomethyl)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.01675 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.024026 141.6
[M+Na]+ 289.005968 142.0
[M-H]- 265.009474 142.2
[M+NH4]+ 284.050573 151.9
[M+K]+ 304.979908 147.0
[M+H-H2O]+ 249.014010 131.6
[M+HCOO]- 311.014951 156.5
[M+CH3COO]- 325.030601 188.8
[M+Na-2H]- 286.991416 135.8
[M]+ 266.01620142 138.6
[M]- 266.01729858 138.6
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.