CID 130582932

1849204-12-1

Structural Information

Molecular Formula
C9H15IO
SMILES
C1CC(OC(C1)C2CC2)CI
InChI
InChI=1S/C9H15IO/c10-6-8-2-1-3-9(11-8)7-4-5-7/h7-9H,1-6H2
InChIKey
ZSVDYCQNWBTPAD-UHFFFAOYSA-N
Compound name
2-cyclopropyl-6-(iodomethyl)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.01675 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.02403 141.6
[M+Na]+ 289.00597 142.0
[M-H]- 265.00947 142.2
[M+NH4]+ 284.05057 151.9
[M+K]+ 304.97991 147.0
[M+H-H2O]+ 249.01401 131.6
[M+HCOO]- 311.01495 156.5
[M+CH3COO]- 325.03060 188.8
[M+Na-2H]- 286.99142 135.8
[M]+ 266.01620 138.6
[M]- 266.01730 138.6
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.