CID 165445421

2742660-38-2

Structural Information

Molecular Formula
C14H22INO2
SMILES
CC(C)(C)OC(=O)N1CCC(C1)C23CC(C2)(C3)I
InChI
InChI=1S/C14H22INO2/c1-12(2,3)18-11(17)16-5-4-10(6-16)13-7-14(15,8-13)9-13/h10H,4-9H2,1-3H3
InChIKey
MYBCEHQSIKPJGZ-UHFFFAOYSA-N
Compound name
tert-butyl 3-(3-iodo-1-bicyclo[1.1.1]pentanyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.06952 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.07680 172.6
[M+Na]+ 386.05874 169.8
[M-H]- 362.06224 171.5
[M+NH4]+ 381.10334 173.8
[M+K]+ 402.03268 178.6
[M+H-H2O]+ 346.06678 158.0
[M+HCOO]- 408.06772 178.2
[M+CH3COO]- 422.08337 223.8
[M+Na-2H]- 384.04419 166.8
[M]+ 363.06897 193.5
[M]- 363.07007 193.5
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.