CID 145874226

2375261-02-0

Structural Information

Molecular Formula
C13H20INO2
SMILES
CC(C)(C)OC(=O)N1CC(C1)C23CC(C2)(C3)I
InChI
InChI=1S/C13H20INO2/c1-11(2,3)17-10(16)15-4-9(5-15)12-6-13(14,7-12)8-12/h9H,4-8H2,1-3H3
InChIKey
VBPISQMOOHSEAX-UHFFFAOYSA-N
Compound name
tert-butyl 3-(3-iodo-1-bicyclo[1.1.1]pentanyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

349.0539 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.06118 176.9
[M+Na]+ 372.04312 174.6
[M-H]- 348.04662 176.5
[M+NH4]+ 367.08772 173.2
[M+K]+ 388.01706 183.6
[M+H-H2O]+ 332.05116 161.5
[M+HCOO]- 394.05210 180.7
[M+CH3COO]- 408.06775 236.0
[M+Na-2H]- 370.02857 171.6
[M]+ 349.05335 199.6
[M]- 349.05445 199.6
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