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]+ 368.071726 168.9
[M+Na]+ 390.053668 167.7
[M-H]- 366.057174 166.4
[M+NH4]+ 385.098273 184.1
[M+K]+ 406.027608 173.4
[M+H-H2O]+ 350.061710 160.7
[M+HCOO]- 412.062651 180.5
[M+CH3COO]- 426.078301 199.5
[M+Na-2H]- 388.039116 158.6
[M]+ 367.06390142 165.9
[M]- 367.06499858 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.