CID 84701766

3-(iodomethyl)-3-(propan-2-yl)oxetane

Structural Information

Molecular Formula
C7H13IO
SMILES
CC(C)C1(COC1)CI
InChI
InChI=1S/C7H13IO/c1-6(2)7(3-8)4-9-5-7/h6H,3-5H2,1-2H3
InChIKey
MKRVEJASIOVFGT-UHFFFAOYSA-N
Compound name
3-(iodomethyl)-3-propan-2-yloxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.00111 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.008386 137.0
[M+Na]+ 262.990328 135.9
[M-H]- 238.993834 134.6
[M+NH4]+ 258.034933 148.6
[M+K]+ 278.964268 145.2
[M+H-H2O]+ 222.998370 125.3
[M+HCOO]- 284.999311 152.2
[M+CH3COO]- 299.014961 185.6
[M+Na-2H]- 260.975776 131.8
[M]+ 240.00056142 143.2
[M]- 240.00165858 143.2
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.