CID 132327532

Tert-butyl 3-(iodomethyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxylate

Structural Information

Molecular Formula
C13H22INO3
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)CC(OC2)CI
InChI
InChI=1S/C13H22INO3/c1-12(2,3)18-11(16)15-5-4-13(8-15)6-10(7-14)17-9-13/h10H,4-9H2,1-3H3
InChIKey
KSEJZIWCELFVQV-UHFFFAOYSA-N
Compound name
tert-butyl 3-(iodomethyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.06445 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.07173 168.9
[M+Na]+ 390.05367 167.7
[M-H]- 366.05717 166.4
[M+NH4]+ 385.09827 184.1
[M+K]+ 406.02761 173.4
[M+H-H2O]+ 350.06171 160.7
[M+HCOO]- 412.06265 180.5
[M+CH3COO]- 426.07830 199.5
[M+Na-2H]- 388.03912 158.6
[M]+ 367.06390 165.9
[M]- 367.06500 165.9
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.