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]+ 241.00839 138.8
[M+Na]+ 262.99033 137.7
[M-H]- 238.99383 135.2
[M+NH4]+ 258.03493 155.9
[M+K]+ 278.96427 143.7
[M+H-H2O]+ 222.99837 130.1
[M+HCOO]- 284.99931 155.7
[M+CH3COO]- 299.01496 180.2
[M+Na-2H]- 260.97578 131.9
[M]+ 240.00056 135.3
[M]- 240.00166 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.