CID 126970884

2-cyclopropyl-5-(iodomethyl)oxolane

Structural Information

Molecular Formula
C8H13IO
SMILES
C1CC1C2CCC(O2)CI
InChI
InChI=1S/C8H13IO/c9-5-7-3-4-8(10-7)6-1-2-6/h6-8H,1-5H2
InChIKey
AWZSXTJGUIPKIU-UHFFFAOYSA-N
Compound name
2-cyclopropyl-5-(iodomethyl)oxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.00111 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.008386 136.4
[M+Na]+ 274.990328 138.1
[M-H]- 250.993834 137.4
[M+NH4]+ 270.034933 148.9
[M+K]+ 290.964268 142.8
[M+H-H2O]+ 234.998370 127.3
[M+HCOO]- 296.999311 153.4
[M+CH3COO]- 311.014961 185.8
[M+Na-2H]- 272.975776 130.0
[M]+ 252.00056142 135.1
[M]- 252.00165858 135.1
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.