CID 124170992

Tert-butyl 6-iodo-2-azaspiro[3.3]heptane-2-carboxylate

Structural Information

Molecular Formula
C11H18INO2
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC(C2)I
InChI
InChI=1S/C11H18INO2/c1-10(2,3)15-9(14)13-6-11(7-13)4-8(12)5-11/h8H,4-7H2,1-3H3
InChIKey
KHHIVFVMZWYGOH-UHFFFAOYSA-N
Compound name
tert-butyl 6-iodo-2-azaspiro[3.3]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

181
Patents

323.03824 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.04552 152.2
[M+Na]+ 346.02746 150.3
[M-H]- 322.03096 150.1
[M+NH4]+ 341.07206 155.1
[M+K]+ 362.00140 159.8
[M+H-H2O]+ 306.03550 136.3
[M+HCOO]- 368.03644 162.6
[M+CH3COO]- 382.05209 205.8
[M+Na-2H]- 344.01291 145.5
[M]+ 323.03769 165.3
[M]- 323.03879 165.3
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

patents stripe