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]+ 253.191056 188.2
[M+Na]+ 275.172998 188.3
[M-H]- 251.176504 191.2
[M+NH4]+ 270.217603 185.6
[M+K]+ 291.146938 194.9
[M+H-H2O]+ 235.181040 172.6
[M+HCOO]- 297.181981 194.0
[M+CH3COO]- 311.197631 234.9
[M+Na-2H]- 273.158446 187.9
[M]+ 252.18323142 212.7
[M]- 252.18432858 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.