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]+ 253.00839 136.4
[M+Na]+ 274.99033 138.1
[M-H]- 250.99383 137.4
[M+NH4]+ 270.03493 148.9
[M+K]+ 290.96427 142.8
[M+H-H2O]+ 234.99837 127.3
[M+HCOO]- 296.99931 153.4
[M+CH3COO]- 311.01496 185.8
[M+Na-2H]- 272.97578 130.0
[M]+ 252.00056 135.1
[M]- 252.00166 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.