CID 15425790

214841-01-7

Structural Information

Molecular Formula
C9H15IO3
SMILES
CCOC(=O)[C@@H]1CCC[C@H](O1)CI
InChI
InChI=1S/C9H15IO3/c1-2-12-9(11)8-5-3-4-7(6-10)13-8/h7-8H,2-6H2,1H3/t7-,8-/m0/s1
InChIKey
QXURXFCNHSYZLB-YUMQZZPRSA-N
Compound name
ethyl (2S,6S)-6-(iodomethyl)oxane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.0066 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.01388 153.1
[M+Na]+ 320.99582 151.1
[M-H]- 296.99932 149.4
[M+NH4]+ 316.04042 166.3
[M+K]+ 336.96976 157.6
[M+H-H2O]+ 281.00386 143.6
[M+HCOO]- 343.00480 167.0
[M+CH3COO]- 357.02045 190.3
[M+Na-2H]- 318.98127 144.6
[M]+ 298.00605 150.1
[M]- 298.00715 150.1
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.