CID 65170470

2-(3-iodopropyl)oxolane

Structural Information

Molecular Formula
C7H13IO
SMILES
C1CC(OC1)CCCI
InChI
InChI=1S/C7H13IO/c8-5-1-3-7-4-2-6-9-7/h7H,1-6H2
InChIKey
WREHFIREBNMDDJ-UHFFFAOYSA-N
Compound name
2-(3-iodopropyl)oxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.00111 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.008386 138.8
[M+Na]+ 262.990328 137.7
[M-H]- 238.993834 135.2
[M+NH4]+ 258.034933 155.9
[M+K]+ 278.964268 143.7
[M+H-H2O]+ 222.998370 130.1
[M+HCOO]- 284.999311 155.7
[M+CH3COO]- 299.014961 180.2
[M+Na-2H]- 260.975776 131.9
[M]+ 240.00056142 135.3
[M]- 240.00165858 135.3
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.