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]+ 241.00839 137.0
[M+Na]+ 262.99033 135.9
[M-H]- 238.99383 134.6
[M+NH4]+ 258.03493 148.6
[M+K]+ 278.96427 145.2
[M+H-H2O]+ 222.99837 125.3
[M+HCOO]- 284.99931 152.2
[M+CH3COO]- 299.01496 185.6
[M+Na-2H]- 260.97578 131.8
[M]+ 240.00056 143.2
[M]- 240.00166 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.