CID 155821453

2445785-78-2

Structural Information

Molecular Formula
C14H23IO3
SMILES
CC(C)(C)OC(=O)C1CC2(C1)CCCC(O2)CI
InChI
InChI=1S/C14H23IO3/c1-13(2,3)18-12(16)10-7-14(8-10)6-4-5-11(9-15)17-14/h10-11H,4-9H2,1-3H3
InChIKey
KTOJDXWSPPCIQR-UHFFFAOYSA-N
Compound name
tert-butyl 6-(iodomethyl)-5-oxaspiro[3.5]nonane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.06918 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.07646 167.4
[M+Na]+ 389.05840 163.9
[M-H]- 365.06190 165.6
[M+NH4]+ 384.10300 174.4
[M+K]+ 405.03234 172.4
[M+H-H2O]+ 349.06644 154.4
[M+HCOO]- 411.06738 176.8
[M+CH3COO]- 425.08303 205.0
[M+Na-2H]- 387.04385 159.3
[M]+ 366.06863 172.0
[M]- 366.06973 172.0
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.