CID 165466796

2770358-69-3

Structural Information

Molecular Formula
C14H24N2O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)CC23CC(C2)(C3)N
InChI
InChI=1S/C14H24N2O2/c1-12(2,3)18-11(17)16-5-10(6-16)4-13-7-14(15,8-13)9-13/h10H,4-9,15H2,1-3H3
InChIKey
KHRMYXOTSNBENV-UHFFFAOYSA-N
Compound name
tert-butyl 3-[(3-amino-1-bicyclo[1.1.1]pentanyl)methyl]azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.18378 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.19106 188.2
[M+Na]+ 275.17300 188.3
[M-H]- 251.17650 191.2
[M+NH4]+ 270.21760 185.6
[M+K]+ 291.14694 194.9
[M+H-H2O]+ 235.18104 172.6
[M+HCOO]- 297.18198 194.0
[M+CH3COO]- 311.19763 234.9
[M+Na-2H]- 273.15845 187.9
[M]+ 252.18323 212.7
[M]- 252.18433 212.7
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.